CID 327120

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

Structural Information

Molecular Formula
C13H12N2O
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC=CC=N2
InChI
InChI=1S/C13H12N2O/c1-10-5-7-11(8-6-10)13(16)15-12-4-2-3-9-14-12/h2-9H,1H3,(H,14,15,16)
InChIKey
BSVQSENXORJKSQ-UHFFFAOYSA-N
Compound name
4-methyl-N-pyridin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

212.09496 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 146.2
[M+Na]+ 235.08418 153.4
[M-H]- 211.08768 151.7
[M+NH4]+ 230.12878 163.0
[M+K]+ 251.05812 149.9
[M+H-H2O]+ 195.09222 138.0
[M+HCOO]- 257.09316 170.1
[M+CH3COO]- 271.10881 189.0
[M+Na-2H]- 233.06963 153.5
[M]+ 212.09441 145.1
[M]- 212.09551 145.1
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