CID 206185

43088-52-4

Structural Information

Molecular Formula

C₁₁H₁₃N₃OS

SMILES

CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1N

InChI

InChI=1S/C11H13N3OS/c1-6-13-10-9(11(15)14(6)12)7-4-2-3-5-8(7)16-10/h2-5,12H2,1H3

InChIKey

CZRSWELKXRQSMW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 235.07793 Da
Monoisotopic Mass: 1.4
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]+	236.08521	148.7
[M+Na]+	258.06715	161.8
[M+NH4]+	253.11175	158.0
[M+K]+	274.04109	154.9
[M-H]-	234.07065	151.3
[M+Na-2H]-	256.05260	153.2
[M]+	235.07738	151.7
[M]-	235.07848	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe