PubChemLite - 329738-15-0 (C24H23ClN4O3S)

Structural Information

Molecular Formula

SMILES

CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)C#N)C4=CC=C(C=C4)Cl)C(=O)C1)C

InChI

InChI=1S/C24H23ClN4O3S/c1-24(2)11-19-22(20(30)12-24)21(14-3-5-15(25)6-4-14)18(13-26)23(27)29(19)16-7-9-17(10-8-16)33(28,31)32/h3-10,21H,11-12,27H2,1-2H3,(H2,28,31,32)

InChIKey

ZBRKFELTANBJQS-UHFFFAOYSA-N

Compound name

4-[2-amino-4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzenesulfonamide

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]+	483.12523	226.6
[M+Na]+	505.10717	238.4
[M-H]-	481.11067	233.1
[M+NH4]+	500.15177	235.2
[M+K]+	521.08111	228.4
[M+H-H2O]+	465.11521	212.6
[M+HCOO]-	527.11615	230.8
[M+CH3COO]-	541.13180	232.3
[M+Na-2H]-	503.09262	225.1
[M]+	482.11740	222.6
[M]-	482.11850	222.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.12523

226.6

[M+Na]+

505.10717

238.4

[M-H]-

481.11067

233.1

[M+NH4]+

500.15177

235.2

[M+K]+

521.08111

228.4

[M+H-H2O]+

465.11521

212.6

[M+HCOO]-

527.11615

230.8

[M+CH3COO]-

541.13180

232.3

[M+Na-2H]-

503.09262

225.1

[M]+

482.11740

222.6

[M]-

482.11850

222.6

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

329738-15-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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