73384-83-5 (C27H24N4O5)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C(=O)N)OC

InChI

InChI=1S/C27H24N4O5/c1-3-36-23-11-7-6-10-20(23)29-27(34)19-14-16-8-4-5-9-18(16)24(25(19)32)31-30-21-15-17(26(28)33)12-13-22(21)35-2/h4-15,32H,3H2,1-2H3,(H2,28,33)(H,29,34)

InChIKey

JUYGBSHLJIRBAT-UHFFFAOYSA-N

Compound name

4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-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]+	485.181956	215.6
[M+Na]+	507.163898	220.3
[M-H]-	483.167404	226.9
[M+NH4]+	502.208503	222.4
[M+K]+	523.137838	217.4
[M+H-H2O]+	467.171940	203.3
[M+HCOO]-	529.172881	240.1
[M+CH3COO]-	543.188531	253.4
[M+Na-2H]-	505.149346	217.9
[M]+	484.17413142	219.0
[M]-	484.17522858	219.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.181956

215.6

[M+Na]+

507.163898

220.3

[M-H]-

483.167404

226.9

[M+NH4]+

502.208503

222.4

[M+K]+

523.137838

217.4

[M+H-H2O]+

467.171940

203.3

[M+HCOO]-

529.172881

240.1

[M+CH3COO]-

543.188531

253.4

[M+Na-2H]-

505.149346

217.9

[M]+

484.17413142

219.0

[M]-

484.17522858

219.0

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

73384-83-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe