CID 2387218

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

Structural Information

Molecular Formula
C8H6N2O3S2
SMILES
CC1=C(SC2=C1C(=O)NC(=S)N2)C(=O)O
InChI
InChI=1S/C8H6N2O3S2/c1-2-3-5(11)9-8(14)10-6(3)15-4(2)7(12)13/h1H3,(H,12,13)(H2,9,10,11,14)
InChIKey
RPWJHLNLHJSVDL-UHFFFAOYSA-N
Compound name
5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

241.98198 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98926 150.3
[M+Na]+ 264.97120 161.5
[M+NH4]+ 260.01580 156.7
[M+K]+ 280.94514 155.3
[M-H]- 240.97470 149.0
[M+Na-2H]- 262.95665 151.9
[M]+ 241.98143 152.1
[M]- 241.98253 152.1
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.