CID 6229143

2-(3-(2-thienyl)acrylamido)benzoic acid

Structural Information

Molecular Formula
C14H11NO3S
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)/C=C/C2=CC=CS2
InChI
InChI=1S/C14H11NO3S/c16-13(8-7-10-4-3-9-19-10)15-12-6-2-1-5-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)/b8-7+
InChIKey
GERZVEHIQIUMRH-BQYQJAHWSA-N
Compound name
2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.04596 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.05324 162.1
[M+Na]+ 296.03518 171.8
[M+NH4]+ 291.07978 169.0
[M+K]+ 312.00912 166.2
[M-H]- 272.03868 164.4
[M+Na-2H]- 294.02063 167.6
[M]+ 273.04541 164.2
[M]- 273.04651 164.2
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

patents stripe