CID 4408615

N-[1-hydroxy-2-oxo-2-(thiophen-2-yl)ethyl]benzamide

Structural Information

Molecular Formula
C13H11NO3S
SMILES
C1=CC=C(C=C1)C(=O)NC(C(=O)C2=CC=CS2)O
InChI
InChI=1S/C13H11NO3S/c15-11(10-7-4-8-18-10)13(17)14-12(16)9-5-2-1-3-6-9/h1-8,13,17H,(H,14,16)
InChIKey
FJAYIJBUZPEXHU-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-2-oxo-2-thiophen-2-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.04596 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.05324 157.6
[M+Na]+ 284.03518 166.7
[M+NH4]+ 279.07978 164.8
[M+K]+ 300.00912 162.1
[M-H]- 260.03868 159.9
[M+Na-2H]- 282.02063 163.4
[M]+ 261.04541 159.6
[M]- 261.04651 159.6
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.