CID 135435974

4(3h)-quinazolinone, 2-(ethylthio)-

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

CCSC1=NC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C10H10N2OS/c1-2-14-10-11-8-6-4-3-5-7(8)9(13)12-10/h3-6H,2H2,1H3,(H,11,12,13)

InChIKey

MWARAOPWFPYGLV-UHFFFAOYSA-N

Compound name

2-ethylsulfanyl-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 206.05139 Da
Monoisotopic Mass: 2.0
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]+	207.05867	140.4
[M+Na]+	229.04061	151.0
[M-H]-	205.04411	141.5
[M+NH4]+	224.08521	158.2
[M+K]+	245.01455	145.8
[M+H-H2O]+	189.04865	133.8
[M+HCOO]-	251.04959	155.8
[M+CH3COO]-	265.06524	153.1
[M+Na-2H]-	227.02606	146.4
[M]+	206.05084	142.5
[M]-	206.05194	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe