CID 676683

329695-38-7

Structural Information

Molecular Formula
C10H8N2O3S2
SMILES
C1=CSC(=C1)C(=O)NC2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C10H8N2O3S2/c13-8(14)4-6-5-17-10(11-6)12-9(15)7-2-1-3-16-7/h1-3,5H,4H2,(H,13,14)(H,11,12,15)
InChIKey
COFSNHOVGDBKIH-UHFFFAOYSA-N
Compound name
2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.99762 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.00490 158.0
[M+Na]+ 290.98684 167.4
[M-H]- 266.99034 163.4
[M+NH4]+ 286.03144 176.4
[M+K]+ 306.96078 163.3
[M+H-H2O]+ 250.99488 152.2
[M+HCOO]- 312.99582 173.2
[M+CH3COO]- 327.01147 190.1
[M+Na-2H]- 288.97229 156.6
[M]+ 267.99707 162.2
[M]- 267.99817 162.2
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.