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 177.3
[M+Na]+ 340.14385 182.7
[M-H]- 316.14735 184.0
[M+NH4]+ 335.18845 192.7
[M+K]+ 356.11779 177.5
[M+H-H2O]+ 300.15189 168.9
[M+HCOO]- 362.15283 197.1
[M+CH3COO]- 376.16848 212.0
[M+Na-2H]- 338.12930 180.8
[M]+ 317.15408 182.7
[M]- 317.15518 182.7
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.