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 166.8
[M+Na]+ 329.00250 179.2
[M+NH4]+ 324.04710 174.4
[M+K]+ 344.97644 173.2
[M-H]- 305.00600 168.8
[M+Na-2H]- 326.98795 171.1
[M]+ 306.01273 170.0
[M]- 306.01383 170.0
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.