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 169.5
[M+Na]+ 310.13329 175.0
[M-H]- 286.13679 176.5
[M+NH4]+ 305.17789 186.0
[M+K]+ 326.10723 169.8
[M+H-H2O]+ 270.14133 161.9
[M+HCOO]- 332.14227 187.8
[M+CH3COO]- 346.15792 206.4
[M+Na-2H]- 308.11874 175.0
[M]+ 287.14352 172.3
[M]- 287.14462 172.3
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.