CID 218728

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

Structural Information

Molecular Formula
C13H11NO2S
SMILES
CC(=O)C1=CC=CC=C1NC(=O)C2=CC=CS2
InChI
InChI=1S/C13H11NO2S/c1-9(15)10-5-2-3-6-11(10)14-13(16)12-7-4-8-17-12/h2-8H,1H3,(H,14,16)
InChIKey
UWBYGIKMCVBGTQ-UHFFFAOYSA-N
Compound name
N-(2-acetylphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

245.05106 Da
Monoisotopic Mass

3.2
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

patents stripe