CID 98614

14346-24-8

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

C1CCC2=C(C1)C3=C(S2)N=CNC3=O

InChI

InChI=1S/C10H10N2OS/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h5H,1-4H2,(H,11,12,13)

InChIKey

NMMOEJUJKIXUQZ-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 114
Patents: 206.05139 Da
Monoisotopic Mass: 1.9
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	140.3
[M+Na]+	229.04061	154.0
[M+NH4]+	224.08521	150.2
[M+K]+	245.01455	146.6
[M-H]-	205.04411	142.3
[M+Na-2H]-	227.02606	145.7
[M]+	206.05084	143.3
[M]-	206.05194	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe