CID 4962022

3-amino-2-methylthieno[2,3-d]pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C7H7N3OS
SMILES
CC1=NC2=C(C=CS2)C(=O)N1N
InChI
InChI=1S/C7H7N3OS/c1-4-9-6-5(2-3-12-6)7(11)10(4)8/h2-3H,8H2,1H3
InChIKey
GXLARADPXGNYDS-UHFFFAOYSA-N
Compound name
3-amino-2-methylthieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

181.03099 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03827 132.5
[M+Na]+ 204.02021 146.0
[M-H]- 180.02371 135.9
[M+NH4]+ 199.06481 153.8
[M+K]+ 219.99415 142.0
[M+H-H2O]+ 164.02825 126.7
[M+HCOO]- 226.02919 152.9
[M+CH3COO]- 240.04484 147.4
[M+Na-2H]- 202.00566 137.4
[M]+ 181.03044 136.4
[M]- 181.03154 136.4
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