CID 11506485

Thieno[3,2-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C6H5N3S
SMILES
C1=CSC2=C1N=CN=C2N
InChI
InChI=1S/C6H5N3S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H,(H2,7,8,9)
InChIKey
QIZMFTNGJPBSBT-UHFFFAOYSA-N
Compound name
thieno[3,2-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

300
Patents

151.02042 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.02770 124.9
[M+Na]+ 174.00964 138.3
[M+NH4]+ 169.05424 134.7
[M+K]+ 189.98358 131.7
[M-H]- 150.01314 127.5
[M+Na-2H]- 171.99509 132.2
[M]+ 151.01987 128.0
[M]- 151.02097 128.0
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