CID 16773588

3-(aminomethyl)-n-(pyridin-4-yl)benzamide dihydrochloride

Structural Information

Molecular Formula
C13H13N3O
SMILES
C1=CC(=CC(=C1)C(=O)NC2=CC=NC=C2)CN
InChI
InChI=1S/C13H13N3O/c14-9-10-2-1-3-11(8-10)13(17)16-12-4-6-15-7-5-12/h1-8H,9,14H2,(H,15,16,17)
InChIKey
AVSZYTGJFDMJSG-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-N-pyridin-4-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

227.10587 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 151.4
[M+Na]+ 250.09509 164.1
[M+NH4]+ 245.13969 159.2
[M+K]+ 266.06903 157.3
[M-H]- 226.09859 156.1
[M+Na-2H]- 248.08054 160.7
[M]+ 227.10532 154.4
[M]- 227.10642 154.4
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

patents stripe