CID 346662

N,n-dibenzyl-2-chlorobenzamide

Structural Information

Molecular Formula
C21H18ClNO
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C21H18ClNO/c22-20-14-8-7-13-19(20)21(24)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKey
XHXZSXJNPDBFEP-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 336.11498 179.8
[M+Na]+ 358.09692 185.7
[M-H]- 334.10042 189.9
[M+NH4]+ 353.14152 193.7
[M+K]+ 374.07086 179.5
[M+H-H2O]+ 318.10496 170.5
[M+HCOO]- 380.10590 199.4
[M+CH3COO]- 394.12155 190.6
[M+Na-2H]- 356.08237 183.6
[M]+ 335.10715 182.0
[M]- 335.10825 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.