PubChemLite - Nsc45607 (C26H24N6O4)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)C(=O)N(C)C)OC)N=NC3=C(C4=CC=CC=C4NC3=O)O

InChI

InChI=1S/C26H24N6O4/c1-15-13-21(30-31-23-24(33)18-7-5-6-8-19(18)27-25(23)34)22(36-4)14-20(15)29-28-17-11-9-16(10-12-17)26(35)32(2)3/h5-14H,1-4H3,(H2,27,33,34)

InChIKey

QENCHULXFOFBLI-UHFFFAOYSA-N

Compound name

4-[[4-[(4-hydroxy-2-oxo-1H-quinolin-3-yl)diazenyl]-5-methoxy-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]+	485.19318	217.6
[M+Na]+	507.17512	224.1
[M-H]-	483.17862	231.2
[M+NH4]+	502.21972	224.6
[M+K]+	523.14906	221.5
[M+H-H2O]+	467.18316	204.1
[M+HCOO]-	529.18410	245.6
[M+CH3COO]-	543.19975	260.8
[M+Na-2H]-	505.16057	222.0
[M]+	484.18535	223.1
[M]-	484.18645	223.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.19318

217.6

[M+Na]+

507.17512

224.1

[M-H]-

483.17862

231.2

[M+NH4]+

502.21972

224.6

[M+K]+

523.14906

221.5

[M+H-H2O]+

467.18316

204.1

[M+HCOO]-

529.18410

245.6

[M+CH3COO]-

543.19975

260.8

[M+Na-2H]-

505.16057

222.0

[M]+

484.18535

223.1

[M]-

484.18645

223.1

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

Nsc45607

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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