CID 669062

4-methyl-n-(3-pyridinylmethyl)benzamide

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2
InChI
InChI=1S/C14H14N2O/c1-11-4-6-13(7-5-11)14(17)16-10-12-3-2-8-15-9-12/h2-9H,10H2,1H3,(H,16,17)
InChIKey
VDNOJWSBXQNXBF-UHFFFAOYSA-N
Compound name
4-methyl-N-(pyridin-3-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

226.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 150.8
[M+Na]+ 249.099828 157.6
[M-H]- 225.103334 156.1
[M+NH4]+ 244.144433 167.0
[M+K]+ 265.073768 153.8
[M+H-H2O]+ 209.107870 142.4
[M+HCOO]- 271.108811 174.4
[M+CH3COO]- 285.124461 192.0
[M+Na-2H]- 247.085276 157.5
[M]+ 226.11006142 150.1
[M]- 226.11115858 150.1
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