CID 714490

2,5-dimethyl-4-oxo-3h,4h-thieno[2,3-d]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O3S
SMILES
CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)O
InChI
InChI=1S/C9H8N2O3S/c1-3-5-7(12)10-4(2)11-8(5)15-6(3)9(13)14/h1-2H3,(H,13,14)(H,10,11,12)
InChIKey
PNKDOXHMMQRMAG-UHFFFAOYSA-N
Compound name
2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.02556 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.032836 143.9
[M+Na]+ 247.014778 156.7
[M-H]- 223.018284 145.1
[M+NH4]+ 242.059383 162.5
[M+K]+ 262.988718 152.1
[M+H-H2O]+ 207.022820 138.8
[M+HCOO]- 269.023761 159.7
[M+CH3COO]- 283.039411 182.8
[M+Na-2H]- 245.000226 145.9
[M]+ 224.02501142 148.5
[M]- 224.02610858 148.5
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

No patent data available for this compound.