CID 3022119

Brn 4433056

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)C
InChI
InChI=1S/C14H14N2O/c1-10-5-7-12(8-6-10)16-14(17)13-4-3-9-15-11(13)2/h3-9H,1-2H3,(H,16,17)
InChIKey
KVARKOJXSVIURG-UHFFFAOYSA-N
Compound name
2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 151.6
[M+Na]+ 249.09983 166.1
[M+NH4]+ 244.14443 160.0
[M+K]+ 265.07377 158.6
[M-H]- 225.10333 156.3
[M+Na-2H]- 247.08528 161.3
[M]+ 226.11006 155.1
[M]- 226.11116 155.1
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

No patent data available for this compound.