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 165.2
[M+Na]+ 297.12548 171.0
[M-H]- 273.12898 172.3
[M+NH4]+ 292.17008 182.2
[M+K]+ 313.09942 160.0
[M+H-H2O]+ 257.13352 160.6
[M+HCOO]- 319.13446 184.3
[M+CH3COO]- 333.15011 196.4
[M+Na-2H]- 295.11093 174.4
[M]+ 274.13571 166.6
[M]- 274.13681 166.6
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