CID 3029552

3-pyridinecarboxamide, 2-methyl-n-phenyl-

Structural Information

Molecular Formula
C13H12N2O
SMILES
CC1=C(C=CC=N1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H12N2O/c1-10-12(8-5-9-14-10)13(16)15-11-6-3-2-4-7-11/h2-9H,1H3,(H,15,16)
InChIKey
HMJNXERIDFJANM-UHFFFAOYSA-N
Compound name
2-methyl-N-phenylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.09496 Da
Monoisotopic Mass

2.1
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