CID 258149

4994-88-1

Structural Information

Molecular Formula

C₁₀H₁₁N₃S

SMILES

C1CCC2=C(C1)C3=C(N=CN=C3S2)N

InChI

InChI=1S/C10H11N3S/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2,(H2,11,12,13)

InChIKey

QXPQVUQBEBHHQP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 19
Patents: 205.06737 Da
Monoisotopic Mass: 2.4
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]+	206.07465	139.6
[M+Na]+	228.05659	152.7
[M+NH4]+	223.10119	150.0
[M+K]+	244.03053	145.3
[M-H]-	204.06009	142.9
[M+Na-2H]-	226.04204	145.5
[M]+	205.06682	142.9
[M]-	205.06792	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe