CID 3084749

39627-98-0

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=N2
InChI
InChI=1S/C14H14N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h3-9H,1-2H3,(H,16,17)
InChIKey
SHZDEASIMRREIQ-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

226.11061 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 150.8
[M+Na]+ 249.09983 158.5
[M-H]- 225.10333 156.5
[M+NH4]+ 244.14443 167.3
[M+K]+ 265.07377 154.8
[M+H-H2O]+ 209.10787 142.6
[M+HCOO]- 271.10881 174.4
[M+CH3COO]- 285.12446 193.2
[M+Na-2H]- 247.08528 156.7
[M]+ 226.11006 150.5
[M]- 226.11116 150.5
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