CID 12109483

3-amino-n-3-pyridinylbenzamide

Structural Information

Molecular Formula
C12H11N3O
SMILES
C1=CC(=CC(=C1)N)C(=O)NC2=CN=CC=C2
InChI
InChI=1S/C12H11N3O/c13-10-4-1-3-9(7-10)12(16)15-11-5-2-6-14-8-11/h1-8H,13H2,(H,15,16)
InChIKey
ROXMEGSVJDLDHD-UHFFFAOYSA-N
Compound name
3-amino-N-pyridin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

213.09021 Da
Monoisotopic Mass

1.0
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

No literature data available for this compound.

Patent stripe

patents stripe