CID 45211

N-(2-chloroethyl)-4,4'-methyldibenzylamine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.14407 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15135 169.3
[M+Na]+ 310.13329 185.1
[M+NH4]+ 305.17789 179.4
[M+K]+ 326.10723 174.6
[M-H]- 286.13679 176.1
[M+Na-2H]- 308.11874 179.6
[M]+ 287.14352 174.1
[M]- 287.14462 174.1
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.