PubChemLite - Einecs 276-846-1 (C16H14N4O5)

Structural Information

Molecular Formula

SMILES

C/C(=C(\C(=O)NC1=CC=CC=C1)/N=NC2=C(C=CC(=C2)[N+](=O)[O-])O)/O

InChI

InChI=1S/C16H14N4O5/c1-10(21)15(16(23)17-11-5-3-2-4-6-11)19-18-13-9-12(20(24)25)7-8-14(13)22/h2-9,21-22H,1H3,(H,17,23)/b15-10-,19-18?

InChIKey

LZTBNZUSSPCTKB-LGBYSEEUSA-N

Compound name

(Z)-3-hydroxy-2-[(2-hydroxy-5-nitrophenyl)diazenyl]-N-phenylbut-2-enamide

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]+	343.10368	173.4
[M+Na]+	365.08562	176.0
[M-H]-	341.08912	179.8
[M+NH4]+	360.13022	183.9
[M+K]+	381.05956	170.1
[M+H-H2O]+	325.09366	168.7
[M+HCOO]-	387.09460	199.1
[M+CH3COO]-	401.11025	210.6
[M+Na-2H]-	363.07107	178.5
[M]+	342.09585	170.3
[M]-	342.09695	170.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

343.10368

173.4

[M+Na]+

365.08562

176.0

[M-H]-

341.08912

179.8

[M+NH4]+

360.13022

183.9

[M+K]+

381.05956

170.1

[M+H-H2O]+

325.09366

168.7

[M+HCOO]-

387.09460

199.1

[M+CH3COO]-

401.11025

210.6

[M+Na-2H]-

363.07107

178.5

[M]+

342.09585

170.3

[M]-

342.09695

170.3

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

Einecs 276-846-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe