PubChemLite - 6629-27-2 (C25H22N6O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)N=NC2=C(C3=CC=CC=C3NC2=O)O)N=NC4=CC=C(C=C4)C(=O)N(C)C

InChI

InChI=1S/C25H22N6O3/c1-15-14-18(28-30-22-23(32)19-6-4-5-7-21(19)26-24(22)33)12-13-20(15)29-27-17-10-8-16(9-11-17)25(34)31(2)3/h4-14H,1-3H3,(H2,26,32,33)

InChIKey

UUWOOGAKBOGZIN-UHFFFAOYSA-N

Compound name

4-[[4-[(4-hydroxy-2-oxo-1H-quinolin-3-yl)diazenyl]-2-methylphenyl]diazenyl]-N,N-dimethylbenzamide

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]+	455.18260	209.6
[M+Na]+	477.16454	216.1
[M-H]-	453.16804	223.1
[M+NH4]+	472.20914	217.8
[M+K]+	493.13848	212.6
[M+H-H2O]+	437.17258	196.4
[M+HCOO]-	499.17352	237.9
[M+CH3COO]-	513.18917	254.3
[M+Na-2H]-	475.14999	215.2
[M]+	454.17477	213.2
[M]-	454.17587	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.18260

209.6

[M+Na]+

477.16454

216.1

[M-H]-

453.16804

223.1

[M+NH4]+

472.20914

217.8

[M+K]+

493.13848

212.6

[M+H-H2O]+

437.17258

196.4

[M+HCOO]-

499.17352

237.9

[M+CH3COO]-

513.18917

254.3

[M+Na-2H]-

475.14999

215.2

[M]+

454.17477

213.2

[M]-

454.17587

213.2

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

6629-27-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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