CID 37553

4-amino-n-(6-methylpyridin-2-yl)benzamide

Structural Information

Molecular Formula
C13H13N3O
SMILES
CC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H13N3O/c1-9-3-2-4-12(15-9)16-13(17)10-5-7-11(14)8-6-10/h2-8H,14H2,1H3,(H,15,16,17)
InChIKey
OJJAQNZSNFIQSA-UHFFFAOYSA-N
Compound name
4-amino-N-(6-methyl-2-pyridinyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

227.10587 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.113146 150.7
[M+Na]+ 250.095088 158.1
[M-H]- 226.098594 156.1
[M+NH4]+ 245.139693 166.6
[M+K]+ 266.069028 154.2
[M+H-H2O]+ 210.103130 142.4
[M+HCOO]- 272.104071 175.1
[M+CH3COO]- 286.119721 194.6
[M+Na-2H]- 248.080536 156.6
[M]+ 227.10532142 148.4
[M]- 227.10641858 148.4
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.