CID 3039703

Nicotinamide, 2-amino-n-(p-tolyl)-, hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.10587 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 150.7
[M+Na]+ 250.09509 158.1
[M-H]- 226.09859 156.1
[M+NH4]+ 245.13969 166.6
[M+K]+ 266.06903 154.2
[M+H-H2O]+ 210.10313 142.4
[M+HCOO]- 272.10407 175.1
[M+CH3COO]- 286.11972 194.6
[M+Na-2H]- 248.08054 156.6
[M]+ 227.10532 148.4
[M]- 227.10642 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.