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 179.2
[M+Na]+ 326.24545 184.3
[M-H]- 302.24895 183.3
[M+NH4]+ 321.29005 195.4
[M+K]+ 342.21939 181.0
[M+H-H2O]+ 286.25349 171.5
[M+HCOO]- 348.25443 202.0
[M+CH3COO]- 362.27008 217.4
[M+Na-2H]- 324.23090 178.9
[M]+ 303.25568 185.6
[M]- 303.25678 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