CID 4269486

4-aminothieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C6H5N3S
SMILES
C1=CSC2=NC=NC(=C21)N
InChI
InChI=1S/C6H5N3S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H,(H2,7,8,9)
InChIKey
DYTQGJLVGDSCLF-UHFFFAOYSA-N
Compound name
thieno[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

371
Patents

151.02042 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.027696 124.0
[M+Na]+ 174.009638 136.2
[M-H]- 150.013144 126.8
[M+NH4]+ 169.054243 146.1
[M+K]+ 189.983578 132.7
[M+H-H2O]+ 134.017680 118.0
[M+HCOO]- 196.018621 144.6
[M+CH3COO]- 210.034271 139.0
[M+Na-2H]- 171.995086 130.9
[M]+ 151.01987142 126.1
[M]- 151.02096858 126.1
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