CID 90211

23612-46-6

Structural Information

Molecular Formula
C13H12N2O
SMILES
CC1=C(N=CC=C1)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H12N2O/c1-10-6-5-9-14-12(10)15-13(16)11-7-3-2-4-8-11/h2-9H,1H3,(H,14,15,16)
InChIKey
JJBRLTIVSDLEJK-UHFFFAOYSA-N
Compound name
N-(3-methylpyridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

212.09496 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 147.3
[M+Na]+ 235.08418 161.6
[M+NH4]+ 230.12878 155.8
[M+K]+ 251.05812 154.1
[M-H]- 211.08768 151.9
[M+Na-2H]- 233.06963 157.4
[M]+ 212.09441 150.6
[M]- 212.09551 150.6
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