CID 14638933

129177-39-5

Structural Information

Molecular Formula
C9H8N2O4S
SMILES
CN1C2=C(C=C(S2)C(=O)O)C(=O)N(C1=O)C
InChI
InChI=1S/C9H8N2O4S/c1-10-6(12)4-3-5(8(13)14)16-7(4)11(2)9(10)15/h3H,1-2H3,(H,13,14)
InChIKey
YSGDONMZXJIIQA-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.02048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02776 150.7
[M+Na]+ 263.00970 163.5
[M+NH4]+ 258.05430 156.9
[M+K]+ 278.98364 159.1
[M-H]- 239.01320 149.8
[M+Na-2H]- 260.99515 153.5
[M]+ 240.01993 152.5
[M]- 240.02103 152.5
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