PubChemLite - N-(2,3-dihydro-2-oxo-1h-benzimidazol-5-yl)-3-hydroxy-4-((2-methoxy-5-((phenylamino)carbonyl)phenyl)azo)naphthalene-2-carboxamide (C32H24N6O5)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC6=C(C=C5)NC(=O)N6)O

InChI

InChI=1S/C32H24N6O5/c1-43-27-14-11-19(30(40)33-20-8-3-2-4-9-20)16-26(27)37-38-28-22-10-6-5-7-18(22)15-23(29(28)39)31(41)34-21-12-13-24-25(17-21)36-32(42)35-24/h2-17,39H,1H3,(H,33,40)(H,34,41)(H2,35,36,42)

InChIKey

LOGJDHWBDGLMNO-UHFFFAOYSA-N

Compound name

3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	573.18813	227.4
[M+Na]+	595.17007	232.2
[M-H]-	571.17357	239.0
[M+NH4]+	590.21467	228.9
[M+K]+	611.14401	226.6
[M+H-H2O]+	555.17811	214.5
[M+HCOO]-	617.17905	247.9
[M+CH3COO]-	631.19470	233.3
[M+Na-2H]-	593.15552	232.2
[M]+	572.18030	229.0
[M]-	572.18140	229.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

573.18813

227.4

[M+Na]+

595.17007

232.2

[M-H]-

571.17357

239.0

[M+NH4]+

590.21467

228.9

[M+K]+

611.14401

226.6

[M+H-H2O]+

555.17811

214.5

[M+HCOO]-

617.17905

247.9

[M+CH3COO]-

631.19470

233.3

[M+Na-2H]-

593.15552

232.2

[M]+

572.18030

229.0

[M]-

572.18140

229.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-(2,3-dihydro-2-oxo-1h-benzimidazol-5-yl)-3-hydroxy-4-((2-methoxy-5-((phenylamino)carbonyl)phenyl)azo)naphthalene-2-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe