PubChemLite - N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide (C24H19Cl2N3O3S)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H19Cl2N3O3S/c1-14-11-20(21(32-2)12-18(14)26)27-22(30)13-33-24-28-19-6-4-3-5-17(19)23(31)29(24)16-9-7-15(25)8-10-16/h3-12H,13H2,1-2H3,(H,27,30)

InChIKey

OEIPBJSBSZDXFO-UHFFFAOYSA-N

Compound name

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

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]+	500.05971	212.3
[M+Na]+	522.04165	222.9
[M-H]-	498.04515	220.2
[M+NH4]+	517.08625	219.5
[M+K]+	538.01559	214.6
[M+H-H2O]+	482.04969	202.6
[M+HCOO]-	544.05063	217.9
[M+CH3COO]-	558.06628	220.5
[M+Na-2H]-	520.02710	212.5
[M]+	499.05188	221.9
[M]-	499.05298	221.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.05971

212.3

[M+Na]+

522.04165

222.9

[M-H]-

498.04515

220.2

[M+NH4]+

517.08625

219.5

[M+K]+

538.01559

214.6

[M+H-H2O]+

482.04969

202.6

[M+HCOO]-

544.05063

217.9

[M+CH3COO]-

558.06628

220.5

[M+Na-2H]-

520.02710

212.5

[M]+

499.05188

221.9

[M]-

499.05298

221.9

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

N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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