CID 673733

N-(3-acetylphenyl)thiophene-2-carboxamide

Structural Information

Molecular Formula
C13H11NO2S
SMILES
CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CS2
InChI
InChI=1S/C13H11NO2S/c1-9(15)10-4-2-5-11(8-10)14-13(16)12-6-3-7-17-12/h2-8H,1H3,(H,14,16)
InChIKey
WYHAFIMGYHKFEX-UHFFFAOYSA-N
Compound name
N-(3-acetylphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

245.05106 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05834 155.0
[M+Na]+ 268.04028 162.4
[M-H]- 244.04378 162.3
[M+NH4]+ 263.08488 174.2
[M+K]+ 284.01422 158.8
[M+H-H2O]+ 228.04832 148.4
[M+HCOO]- 290.04926 175.1
[M+CH3COO]- 304.06491 192.0
[M+Na-2H]- 266.02573 155.6
[M]+ 245.05051 156.7
[M]- 245.05161 156.7
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.