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 145.4
[M+Na]+ 264.97120 158.3
[M-H]- 240.97470 144.9
[M+NH4]+ 260.01580 162.6
[M+K]+ 280.94514 151.1
[M+H-H2O]+ 224.97924 141.3
[M+HCOO]- 286.98018 154.6
[M+CH3COO]- 300.99583 157.4
[M+Na-2H]- 262.95665 145.7
[M]+ 241.98143 148.1
[M]- 241.98253 148.1
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.