CID 1384356

477329-45-6

Structural Information

Molecular Formula

C₂₄H₂₀ClN₃O₂S

SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H20ClN3O2S/c1-15-6-5-7-16(2)22(15)27-21(29)14-31-24-26-20-9-4-3-8-19(20)23(30)28(24)18-12-10-17(25)11-13-18/h3-13H,14H2,1-2H3,(H,27,29)

InChIKey

WYEDEVULWCUQMY-UHFFFAOYSA-N

Compound name

2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 449.09647 Da
Monoisotopic Mass: 5.6
XlogP (predicted)

Profile

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]+	450.103746	205.8
[M+Na]+	472.085688	215.9
[M-H]-	448.089194	214.0
[M+NH4]+	467.130293	214.3
[M+K]+	488.059628	206.9
[M+H-H2O]+	432.093730	195.4
[M+HCOO]-	494.094671	216.1
[M+CH3COO]-	508.110321	214.5
[M+Na-2H]-	470.071136	206.9
[M]+	449.09592142	212.2
[M]-	449.09701858	212.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.