CID 13679477

N,n-dibenzyl-3-chloroaniline

Structural Information

Molecular Formula
C20H18ClN
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H18ClN/c21-19-12-7-13-20(14-19)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKey
YASOBGXHOJJLPK-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-3-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.11276 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12004 172.6
[M+Na]+ 330.10198 179.0
[M-H]- 306.10548 182.6
[M+NH4]+ 325.14658 187.8
[M+K]+ 346.07592 172.4
[M+H-H2O]+ 290.11002 163.5
[M+HCOO]- 352.11096 193.1
[M+CH3COO]- 366.12661 184.0
[M+Na-2H]- 328.08743 178.1
[M]+ 307.11221 174.3
[M]- 307.11331 174.3
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

patents stripe