CID 668939

N-benzyl-n-(pyridin-2-yl)thiophene-2-carboxamide

Structural Information

Molecular Formula
C17H14N2OS
SMILES
C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)C3=CC=CS3
InChI
InChI=1S/C17H14N2OS/c20-17(15-9-6-12-21-15)19(16-10-4-5-11-18-16)13-14-7-2-1-3-8-14/h1-12H,13H2
InChIKey
AVNHLGOIGSJODA-UHFFFAOYSA-N
Compound name
N-benzyl-N-pyridin-2-ylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.08267 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08995 167.6
[M+Na]+ 317.07189 174.3
[M-H]- 293.07539 177.5
[M+NH4]+ 312.11649 183.6
[M+K]+ 333.04583 170.0
[M+H-H2O]+ 277.07993 158.6
[M+HCOO]- 339.08087 187.9
[M+CH3COO]- 353.09652 179.4
[M+Na-2H]- 315.05734 169.7
[M]+ 294.08212 169.4
[M]- 294.08322 169.4
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.