CID 63761

29745-27-5

Structural Information

Molecular Formula

C₁₆H₁₄N₂OS

SMILES

CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C16H14N2OS/c1-2-20-16-17-14-11-7-6-10-13(14)15(19)18(16)12-8-4-3-5-9-12/h3-11H,2H2,1H3

InChIKey

CFELAOYYJGZQMD-UHFFFAOYSA-N

Compound name

2-ethylsulfanyl-3-phenylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 7
Patents: 282.08267 Da
Monoisotopic Mass: 3.4
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]+	283.08995	162.3
[M+Na]+	305.07189	173.0
[M-H]-	281.07539	167.7
[M+NH4]+	300.11649	177.4
[M+K]+	321.04583	166.5
[M+H-H2O]+	265.07993	153.5
[M+HCOO]-	327.08087	178.6
[M+CH3COO]-	341.09652	174.2
[M+Na-2H]-	303.05734	167.5
[M]+	282.08212	165.9
[M]-	282.08322	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe