PubChemLite - Einecs 266-764-4 (C25H19ClN4O6)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)Cl)OC)O

InChI

InChI=1S/C25H19ClN4O6/c1-35-21-10-8-16(30(33)34)13-20(21)28-29-23-17-6-4-3-5-14(17)11-18(24(23)31)25(32)27-19-9-7-15(26)12-22(19)36-2/h3-13,31H,1-2H3,(H,27,32)

InChIKey

NGLOYGPWNUYALP-UHFFFAOYSA-N

Compound name

N-(4-chloro-2-methoxyphenyl)-3-hydroxy-4-[(2-methoxy-5-nitrophenyl)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]+	507.10658	218.3
[M+Na]+	529.08852	223.3
[M-H]-	505.09202	229.7
[M+NH4]+	524.13312	224.6
[M+K]+	545.06246	215.7
[M+H-H2O]+	489.09656	211.3
[M+HCOO]-	551.09750	239.7
[M+CH3COO]-	565.11315	245.6
[M+Na-2H]-	527.07397	223.5
[M]+	506.09875	223.9
[M]-	506.09985	223.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.10658

218.3

[M+Na]+

529.08852

223.3

[M-H]-

505.09202

229.7

[M+NH4]+

524.13312

224.6

[M+K]+

545.06246

215.7

[M+H-H2O]+

489.09656

211.3

[M+HCOO]-

551.09750

239.7

[M+CH3COO]-

565.11315

245.6

[M+Na-2H]-

527.07397

223.5

[M]+

506.09875

223.9

[M]-

506.09985

223.9

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

Einecs 266-764-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe