CID 45345

2-methoxy-4-propylenephenoxyethylethyl-beta-chloroethylamine hydrochloride

Structural Information

Molecular Formula
C16H24ClNO2
SMILES
CCN(CCOC1=C(C=C(C=C1)CC=C)OC)CCCl
InChI
InChI=1S/C16H24ClNO2/c1-4-6-14-7-8-15(16(13-14)19-3)20-12-11-18(5-2)10-9-17/h4,7-8,13H,1,5-6,9-12H2,2-3H3
InChIKey
UNXKAPHIWXGIDZ-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.14957 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15685 171.2
[M+Na]+ 320.13879 177.8
[M-H]- 296.14229 175.4
[M+NH4]+ 315.18339 188.2
[M+K]+ 336.11273 173.9
[M+H-H2O]+ 280.14683 164.6
[M+HCOO]- 342.14777 191.1
[M+CH3COO]- 356.16342 209.9
[M+Na-2H]- 318.12424 173.3
[M]+ 297.14902 179.2
[M]- 297.15012 179.2
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.