CID 3039701

Nicotinamide, 2-amino-n-phenyl-, hydrochloride

Structural Information

Molecular Formula
C12H11N3O
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)N
InChI
InChI=1S/C12H11N3O/c13-11-10(7-4-8-14-11)12(16)15-9-5-2-1-3-6-9/h1-8H,(H2,13,14)(H,15,16)
InChIKey
APYCULMNNNDZEY-UHFFFAOYSA-N
Compound name
2-amino-N-phenylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

213.09021 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.09749 145.7
[M+Na]+ 236.07943 152.5
[M-H]- 212.08293 150.8
[M+NH4]+ 231.12403 161.8
[M+K]+ 252.05337 148.8
[M+H-H2O]+ 196.08747 137.4
[M+HCOO]- 258.08841 170.4
[M+CH3COO]- 272.10406 190.4
[M+Na-2H]- 234.06488 152.9
[M]+ 213.08966 142.6
[M]- 213.09076 142.6
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