PubChemLite - 3564-22-5 (C24H17N5O6)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C24H17N5O6/c1-14-9-10-20(21(11-14)29(34)35)26-27-22-18-8-3-2-5-15(18)12-19(23(22)30)24(31)25-16-6-4-7-17(13-16)28(32)33/h2-13,30H,1H3,(H,25,31)

InChIKey

MCSXGCZMEPXKIW-UHFFFAOYSA-N

Compound name

3-hydroxy-4-[(4-methyl-2-nitrophenyl)diazenyl]-N-(3-nitrophenyl)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]+	472.12518	205.9
[M+Na]+	494.10712	207.3
[M-H]-	470.11062	216.6
[M+NH4]+	489.15172	210.8
[M+K]+	510.08106	196.0
[M+H-H2O]+	454.11516	201.9
[M+HCOO]-	516.11610	231.2
[M+CH3COO]-	530.13175	234.4
[M+Na-2H]-	492.09257	214.3
[M]+	471.11735	203.4
[M]-	471.11845	203.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

472.12518

205.9

[M+Na]+

494.10712

207.3

[M-H]-

470.11062

216.6

[M+NH4]+

489.15172

210.8

[M+K]+

510.08106

196.0

[M+H-H2O]+

454.11516

201.9

[M+HCOO]-

516.11610

231.2

[M+CH3COO]-

530.13175

234.4

[M+Na-2H]-

492.09257

214.3

[M]+

471.11735

203.4

[M]-

471.11845

203.4

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

3564-22-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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