CID 46229

Benzylamine, n-(2-chloroethyl)-n-(2-ethylphenoxyethyl)-, hydrochloride

Structural Information

Molecular Formula
C19H24ClNO
SMILES
CCC1=CC=CC=C1OCCN(CCCl)CC2=CC=CC=C2
InChI
InChI=1S/C19H24ClNO/c1-2-18-10-6-7-11-19(18)22-15-14-21(13-12-20)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3
InChIKey
VQURBKWBQHTICA-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-chloroethyl)-2-(2-ethylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.15463 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.16191 177.2
[M+Na]+ 340.14385 191.9
[M+NH4]+ 335.18845 186.5
[M+K]+ 356.11779 181.5
[M-H]- 316.14735 183.3
[M+Na-2H]- 338.12930 186.9
[M]+ 317.15408 181.6
[M]- 317.15518 181.6
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

No patent data available for this compound.