CID 2513473

790272-38-7

Structural Information

Molecular Formula
C13H10N2O3S2
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1CC(=O)O
InChI
InChI=1S/C13H10N2O3S2/c1-7-14-12-11(13(18)15(7)5-10(16)17)8(6-20-12)9-3-2-4-19-9/h2-4,6H,5H2,1H3,(H,16,17)
InChIKey
QFZUVSPWUVXHMS-UHFFFAOYSA-N
Compound name
2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

306.01328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.02056 165.9
[M+Na]+ 329.00250 179.3
[M-H]- 305.00600 172.0
[M+NH4]+ 324.04710 183.9
[M+K]+ 344.97644 173.9
[M+H-H2O]+ 289.01054 161.3
[M+HCOO]- 351.01148 179.3
[M+CH3COO]- 365.02713 178.7
[M+Na-2H]- 326.98795 164.5
[M]+ 306.01273 173.6
[M]- 306.01383 173.6
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.