CID 215946

4-amino-n-(pyridin-3-yl)benzamide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

27
Patents

213.09021 Da
Monoisotopic Mass

1.4
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