CID 258149

5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine

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

1361
Patents

205.06737 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07465 138.9
[M+Na]+ 228.05659 149.6
[M-H]- 204.06009 141.9
[M+NH4]+ 223.10119 159.9
[M+K]+ 244.03053 145.0
[M+H-H2O]+ 188.06463 132.6
[M+HCOO]- 250.06557 155.3
[M+CH3COO]- 264.08122 152.1
[M+Na-2H]- 226.04204 144.6
[M]+ 205.06682 139.1
[M]- 205.06792 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe