CID 724891

312947-24-3

Structural Information

Molecular Formula
C14H10N2O2S2
SMILES
C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)O
InChI
InChI=1S/C14H10N2O2S2/c17-11(18)7-20-14-12-10(9-4-2-1-3-5-9)6-19-13(12)15-8-16-14/h1-6,8H,7H2,(H,17,18)
InChIKey
NHKGPOMUILRMLW-UHFFFAOYSA-N
Compound name
2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

302.01837 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.02565 162.0
[M+Na]+ 325.00759 176.1
[M+NH4]+ 320.05219 170.6
[M+K]+ 340.98153 166.9
[M-H]- 301.01109 165.4
[M+Na-2H]- 322.99304 169.2
[M]+ 302.01782 166.0
[M]- 302.01892 166.0
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.