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

1
Patents

303.25623 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.263506 179.2
[M+Na]+ 326.245448 184.3
[M-H]- 302.248954 183.3
[M+NH4]+ 321.290053 195.4
[M+K]+ 342.219388 181.0
[M+H-H2O]+ 286.253490 171.5
[M+HCOO]- 348.254431 202.0
[M+CH3COO]- 362.270081 217.4
[M+Na-2H]- 324.230896 178.9
[M]+ 303.25568142 185.6
[M]- 303.25677858 185.6
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

patents stripe