CID 2095458

18740-26-6

Structural Information

Molecular Formula

C₈H₆N₂O₂S₂

SMILES

C1=CSC2=C1C(=NC=N2)SCC(=O)O

InChI

InChI=1S/C8H6N2O2S2/c11-6(12)3-14-8-5-1-2-13-7(5)9-4-10-8/h1-2,4H,3H2,(H,11,12)

InChIKey

DXFKYUFRYZVSAN-UHFFFAOYSA-N

Compound name

2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 225.98708 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.99436	143.6
[M+Na]+	248.97630	155.4
[M+NH4]+	244.02090	151.9
[M+K]+	264.95024	147.8
[M-H]-	224.97980	144.3
[M+Na-2H]-	246.96175	147.9
[M]+	225.98653	146.3
[M]-	225.98763	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe