CID 668822

4-methyl-n-(pyridin-2-ylmethyl)benzamide

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=CC=C(C=C1)C(=O)NCC2=CC=CC=N2
InChI
InChI=1S/C14H14N2O/c1-11-5-7-12(8-6-11)14(17)16-10-13-4-2-3-9-15-13/h2-9H,10H2,1H3,(H,16,17)
InChIKey
FCFYFBNLUQFPCH-UHFFFAOYSA-N
Compound name
4-methyl-N-(pyridin-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

226.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 150.8
[M+Na]+ 249.09983 157.6
[M-H]- 225.10333 156.1
[M+NH4]+ 244.14443 167.0
[M+K]+ 265.07377 153.8
[M+H-H2O]+ 209.10787 142.4
[M+HCOO]- 271.10881 174.4
[M+CH3COO]- 285.12446 192.0
[M+Na-2H]- 247.08528 157.5
[M]+ 226.11006 150.1
[M]- 226.11116 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

literature stripe

Patent stripe

patents stripe