CID 14338815

121746-18-7

Structural Information

Molecular Formula
C8H9N3OS
SMILES
CC1=C(SC2=NC(=O)NC(=C12)N)C
InChI
InChI=1S/C8H9N3OS/c1-3-4(2)13-7-5(3)6(9)10-8(12)11-7/h1-2H3,(H3,9,10,11,12)
InChIKey
PODYAMFFJJQMPM-UHFFFAOYSA-N
Compound name
4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

216
Patents

195.04663 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.053906 137.5
[M+Na]+ 218.035848 151.0
[M-H]- 194.039354 139.7
[M+NH4]+ 213.080453 157.8
[M+K]+ 234.009788 145.9
[M+H-H2O]+ 178.043890 132.1
[M+HCOO]- 240.044831 156.1
[M+CH3COO]- 254.060481 151.7
[M+Na-2H]- 216.021296 140.8
[M]+ 195.04608142 140.4
[M]- 195.04717858 140.4
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

patents stripe