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]+ 225.03284 143.9
[M+Na]+ 247.01478 156.7
[M-H]- 223.01828 145.1
[M+NH4]+ 242.05938 162.5
[M+K]+ 262.98872 152.1
[M+H-H2O]+ 207.02282 138.8
[M+HCOO]- 269.02376 159.7
[M+CH3COO]- 283.03941 182.8
[M+Na-2H]- 245.00023 145.9
[M]+ 224.02501 148.5
[M]- 224.02611 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.