CID 7063832

868238-08-8

Structural Information

Molecular Formula
C11H10N2O5S
SMILES
CC1=NC2=C(C(=C(S2)C(=O)OC)CC(=O)O)C(=O)N1
InChI
InChI=1S/C11H10N2O5S/c1-4-12-9(16)7-5(3-6(14)15)8(11(17)18-2)19-10(7)13-4/h3H2,1-2H3,(H,14,15)(H,12,13,16)
InChIKey
HBLCXFWCGIGZMO-UHFFFAOYSA-N
Compound name
2-(6-methoxycarbonyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.03104 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03832 161.5
[M+Na]+ 305.02026 172.2
[M+NH4]+ 300.06486 166.3
[M+K]+ 320.99420 169.0
[M-H]- 281.02376 159.3
[M+Na-2H]- 303.00571 162.9
[M]+ 282.03049 162.4
[M]- 282.03159 162.4
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

No patent data available for this compound.