CID 6434773

N-benzyl-n-(2-chloroethyl)-o-methylcinnamylamine hydrochloride

Structural Information

Molecular Formula
C19H22ClN
SMILES
CC1=CC=CC=C1/C=C/CN(CCCl)CC2=CC=CC=C2
InChI
InChI=1S/C19H22ClN/c1-17-8-5-6-11-19(17)12-7-14-21(15-13-20)16-18-9-3-2-4-10-18/h2-12H,13-16H2,1H3/b12-7+
InChIKey
LKJGMZUALKHKBI-KPKJPENVSA-N
Compound name
(E)-N-benzyl-N-(2-chloroethyl)-3-(2-methylphenyl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.14407 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15135 173.3
[M+Na]+ 322.13329 179.2
[M-H]- 298.13679 180.1
[M+NH4]+ 317.17789 189.5
[M+K]+ 338.10723 172.7
[M+H-H2O]+ 282.14133 165.2
[M+HCOO]- 344.14227 193.0
[M+CH3COO]- 358.15792 208.6
[M+Na-2H]- 320.11874 176.8
[M]+ 299.14352 176.4
[M]- 299.14462 176.4
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.