CID 722366

N,n-dibenzyl-3-chlorobenzamide

Structural Information

Molecular Formula
C21H18ClNO
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H18ClNO/c22-20-13-7-12-19(14-20)21(24)23(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKey
KJRVVVBNFKCBFP-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-3-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

335.1077 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.114976 179.8
[M+Na]+ 358.096918 185.7
[M-H]- 334.100424 189.9
[M+NH4]+ 353.141523 193.7
[M+K]+ 374.070858 179.5
[M+H-H2O]+ 318.104960 170.5
[M+HCOO]- 380.105901 199.4
[M+CH3COO]- 394.121551 190.6
[M+Na-2H]- 356.082366 183.6
[M]+ 335.10715142 182.0
[M]- 335.10824858 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.