CID 16771252

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

Structural Information

Molecular Formula
C13H13N3O
SMILES
C1=CC(=CC=C1CN)C(=O)NC2=CC=NC=C2
InChI
InChI=1S/C13H13N3O/c14-9-10-1-3-11(4-2-10)13(17)16-12-5-7-15-8-6-12/h1-8H,9,14H2,(H,15,16,17)
InChIKey
BEIPZGFAWMRBKW-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-pyridin-4-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

227.10587 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.113146 150.2
[M+Na]+ 250.095088 156.6
[M-H]- 226.098594 155.2
[M+NH4]+ 245.139693 165.8
[M+K]+ 266.069028 152.6
[M+H-H2O]+ 210.103130 141.7
[M+HCOO]- 272.104071 174.6
[M+CH3COO]- 286.119721 193.4
[M+Na-2H]- 248.080536 156.9
[M]+ 227.10532142 147.5
[M]- 227.10641858 147.5
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