PubChemLite - Nsc622357 (C24H20Cl2N6O)

Structural Information

Molecular Formula

SMILES

CC1=NC2=CC=CC=C2C(=O)N1/N=C(/C3=CC=C(C=C3)N(C)C)\N=NC4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C24H20Cl2N6O/c1-15-27-21-7-5-4-6-19(21)24(33)32(15)30-23(16-8-11-18(12-9-16)31(2)3)29-28-22-14-17(25)10-13-20(22)26/h4-14H,1-3H3/b29-28?,30-23-

InChIKey

NVIXSZFROZSILN-QZTXZMLOSA-N

Compound name

N-(2,5-dichlorophenyl)imino-4-(dimethylamino)-N'-(2-methyl-4-oxoquinazolin-3-yl)benzenecarboximidamide

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]+	479.11485	217.6
[M+Na]+	501.09679	227.1
[M-H]-	477.10029	229.7
[M+NH4]+	496.14139	226.3
[M+K]+	517.07073	220.7
[M+H-H2O]+	461.10483	204.7
[M+HCOO]-	523.10577	235.2
[M+CH3COO]-	537.12142	226.7
[M+Na-2H]-	499.08224	221.5
[M]+	478.10702	225.9
[M]-	478.10812	225.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.11485

217.6

[M+Na]+

501.09679

227.1

[M-H]-

477.10029

229.7

[M+NH4]+

496.14139

226.3

[M+K]+

517.07073

220.7

[M+H-H2O]+

461.10483

204.7

[M+HCOO]-

523.10577

235.2

[M+CH3COO]-

537.12142

226.7

[M+Na-2H]-

499.08224

221.5

[M]+

478.10702

225.9

[M]-

478.10812

225.9

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

Nsc622357

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe