CID 64035

73987-32-3

Structural Information

Molecular Formula

C₁₅H₁₂N₂OS

SMILES

CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C15H12N2OS/c1-19-15-16-13-10-6-5-9-12(13)14(18)17(15)11-7-3-2-4-8-11/h2-10H,1H3

InChIKey

RIXNXRQGSOJIKY-UHFFFAOYSA-N

Compound name

2-methylsulfanyl-3-phenylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 268.06705 Da
Monoisotopic Mass: 3.1
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]+	269.07433	157.8
[M+Na]+	291.05627	169.0
[M-H]-	267.05977	163.5
[M+NH4]+	286.10087	173.5
[M+K]+	307.03021	162.8
[M+H-H2O]+	251.06431	149.3
[M+HCOO]-	313.06525	174.5
[M+CH3COO]-	327.08090	170.2
[M+Na-2H]-	289.04172	163.6
[M]+	268.06650	161.1
[M]-	268.06760	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe