CID 45213

N-(2-chloro-2-methylpropyl)dibenzylamine hydrochloride

Structural Information

Molecular Formula
C18H22ClN
SMILES
CC(C)(CN(CC1=CC=CC=C1)CC2=CC=CC=C2)Cl
InChI
InChI=1S/C18H22ClN/c1-18(2,19)15-20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3
InChIKey
UVBCCUYENYVTKO-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-chloro-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.14407 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15135 170.9
[M+Na]+ 310.13329 185.5
[M+NH4]+ 305.17789 180.7
[M+K]+ 326.10723 175.9
[M-H]- 286.13679 176.8
[M+Na-2H]- 308.11874 181.4
[M]+ 287.14352 175.3
[M]- 287.14462 175.3
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

No patent data available for this compound.