CID 6435085

N-(2-chloroethyl)-n-(3-phenylallyl)benzylamine hydrochloride

Structural Information

Molecular Formula
C18H20ClN
SMILES
C1=CC=C(C=C1)CN(CCCl)C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H20ClN/c19-13-15-20(16-18-10-5-2-6-11-18)14-7-12-17-8-3-1-4-9-17/h1-12H,13-16H2/b12-7+
InChIKey
KZOWGZTYQGUSEO-KPKJPENVSA-N
Compound name
(E)-N-benzyl-N-(2-chloroethyl)-3-phenylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.12842 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13570 169.3
[M+Na]+ 308.11764 184.4
[M+NH4]+ 303.16224 179.1
[M+K]+ 324.09158 173.4
[M-H]- 284.12114 175.6
[M+Na-2H]- 306.10309 179.8
[M]+ 285.12787 173.7
[M]- 285.12897 173.7
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.