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
3
Annotation Hits

0
References

257
Patents

195.04663 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05391 137.5
[M+Na]+ 218.03585 151.0
[M-H]- 194.03935 139.7
[M+NH4]+ 213.08045 157.8
[M+K]+ 234.00979 145.9
[M+H-H2O]+ 178.04389 132.1
[M+HCOO]- 240.04483 156.1
[M+CH3COO]- 254.06048 151.7
[M+Na-2H]- 216.02130 140.8
[M]+ 195.04608 140.4
[M]- 195.04718 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