CID 44579

3-chloro-n-(1-(phenylmethyl)-4-piperidinyl)benzamide hydrochloride

Structural Information

Molecular Formula
C19H21ClN2O
SMILES
C1CN(CCC1NC(=O)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C19H21ClN2O/c20-17-8-4-7-16(13-17)19(23)21-18-9-11-22(12-10-18)14-15-5-2-1-3-6-15/h1-8,13,18H,9-12,14H2,(H,21,23)
InChIKey
VYPFDYRUTSDYJG-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-3-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13425 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14153 177.9
[M+Na]+ 351.12347 182.3
[M-H]- 327.12697 184.7
[M+NH4]+ 346.16807 190.2
[M+K]+ 367.09741 175.7
[M+H-H2O]+ 311.13151 168.2
[M+HCOO]- 373.13245 192.1
[M+CH3COO]- 387.14810 187.0
[M+Na-2H]- 349.10892 180.0
[M]+ 328.13370 174.7
[M]- 328.13480 174.7
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

No patent data available for this compound.