CID 46759

64048-30-2

Structural Information

Molecular Formula
C17H21ClN
SMILES
C[N+](CCCl)(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C17H21ClN/c1-19(13-12-18,14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3/q+1
InChIKey
REMPKIHSHWTKOA-UHFFFAOYSA-N
Compound name
dibenzyl-(2-chloroethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

274.13626 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14354 164.5
[M+Na]+ 297.12548 181.9
[M+NH4]+ 292.17008 176.0
[M+K]+ 313.09942 172.0
[M-H]- 273.12898 172.6
[M+Na-2H]- 295.11093 176.8
[M]+ 274.13571 170.4
[M]- 274.13681 170.4
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

patents stripe