CID 49431

N-(2-chloroethyl)-o,o'-dimethyldibenzylamine hydrochloride

Structural Information

Molecular Formula
C18H22ClN
SMILES
CC1=CC=CC=C1CN(CCCl)CC2=CC=CC=C2C
InChI
InChI=1S/C18H22ClN/c1-15-7-3-5-9-17(15)13-20(12-11-19)14-18-10-6-4-8-16(18)2/h3-10H,11-14H2,1-2H3
InChIKey
XJZNDRZOEKAONO-UHFFFAOYSA-N
Compound name
2-chloro-N,N-bis[(2-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 169.2
[M+Na]+ 310.13329 176.1
[M-H]- 286.13679 176.5
[M+NH4]+ 305.17789 186.2
[M+K]+ 326.10723 170.6
[M+H-H2O]+ 270.14133 161.5
[M+HCOO]- 332.14227 189.1
[M+CH3COO]- 346.15792 208.3
[M+Na-2H]- 308.11874 172.6
[M]+ 287.14352 173.2
[M]- 287.14462 173.2
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.