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

27
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

No literature data available for this compound.

Patent stripe

patents stripe