PubChemLite - N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide (C32H25ClN4O5)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)OC

InChI

InChI=1S/C32H25ClN4O5/c1-41-27-15-13-21(33)18-25(27)35-32(40)24-16-19-8-6-7-11-23(19)29(30(24)38)37-36-26-17-20(12-14-28(26)42-2)31(39)34-22-9-4-3-5-10-22/h3-18,38H,1-2H3,(H,34,39)(H,35,40)

InChIKey

IBHCUBFBUGYOHF-UHFFFAOYSA-N

Compound name

N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]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]+	581.15865	239.0
[M+Na]+	603.14059	244.0
[M-H]-	579.14409	253.1
[M+NH4]+	598.18519	242.6
[M+K]+	619.11453	239.7
[M+H-H2O]+	563.14863	225.8
[M+HCOO]-	625.14957	258.8
[M+CH3COO]-	639.16522	267.7
[M+Na-2H]-	601.12604	241.1
[M]+	580.15082	245.4
[M]-	580.15192	245.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

581.15865

239.0

[M+Na]+

603.14059

244.0

[M-H]-

579.14409

253.1

[M+NH4]+

598.18519

242.6

[M+K]+

619.11453

239.7

[M+H-H2O]+

563.14863

225.8

[M+HCOO]-

625.14957

258.8

[M+CH3COO]-

639.16522

267.7

[M+Na-2H]-

601.12604

241.1

[M]+

580.15082

245.4

[M]-

580.15192

245.4

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

N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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