CID 44579

63639-51-0

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]+ 329.141526 177.9
[M+Na]+ 351.123468 182.3
[M-H]- 327.126974 184.7
[M+NH4]+ 346.168073 190.2
[M+K]+ 367.097408 175.7
[M+H-H2O]+ 311.131510 168.2
[M+HCOO]- 373.132451 192.1
[M+CH3COO]- 387.148101 187.0
[M+Na-2H]- 349.108916 180.0
[M]+ 328.13370142 174.7
[M]- 328.13479858 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.