CID 722254

32973-77-6

Structural Information

Molecular Formula
C8H9N3OS
SMILES
CC1=C(SC2=C1C(=O)N(C=N2)N)C
InChI
InChI=1S/C8H9N3OS/c1-4-5(2)13-7-6(4)8(12)11(9)3-10-7/h3H,9H2,1-2H3
InChIKey
MQNDLLCWPVBUET-UHFFFAOYSA-N
Compound name
3-amino-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04663 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.053906 137.2
[M+Na]+ 218.035848 151.1
[M-H]- 194.039354 140.8
[M+NH4]+ 213.080453 158.2
[M+K]+ 234.009788 146.9
[M+H-H2O]+ 178.043890 131.4
[M+HCOO]- 240.044831 157.2
[M+CH3COO]- 254.060481 152.0
[M+Na-2H]- 216.021296 140.9
[M]+ 195.04608142 141.9
[M]- 195.04717858 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.