CID 5820

Dibenamine

Structural Information

Molecular Formula
C16H18ClN
SMILES
C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2
InChI
InChI=1S/C16H18ClN/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
GSLWSSUWNCJILM-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-chloroethanamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

620
References

1118
Patents

259.11276 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12004 160.8
[M+Na]+ 282.10198 176.2
[M+NH4]+ 277.14658 171.2
[M+K]+ 298.07592 165.8
[M-H]- 258.10548 167.5
[M+Na-2H]- 280.08743 172.0
[M]+ 259.11221 165.5
[M]- 259.11331 165.5
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