CID 23592

4-allyloxy-n,n-diethyl-3,5-dipropylbenzylamine hydrochloride

Structural Information

Molecular Formula
C20H33NO
SMILES
CCCC1=CC(=CC(=C1OCC=C)CCC)CN(CC)CC
InChI
InChI=1S/C20H33NO/c1-6-11-18-14-17(16-21(9-4)10-5)15-19(12-7-2)20(18)22-13-8-3/h8,14-15H,3,6-7,9-13,16H2,1-2,4-5H3
InChIKey
GBUMTIZBDFDEMA-UHFFFAOYSA-N
Compound name
N-ethyl-N-[(4-prop-2-enoxy-3,5-dipropylphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.25623 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.26351 179.3
[M+Na]+ 326.24545 190.7
[M+NH4]+ 321.29005 186.6
[M+K]+ 342.21939 181.8
[M-H]- 302.24895 182.3
[M+Na-2H]- 324.23090 183.9
[M]+ 303.25568 181.7
[M]- 303.25678 181.7
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.