CID 23594

4-allyloxy-n,n,3,5-tetraethylbenzylamine hydrochloride

Structural Information

Molecular Formula
C18H29NO
SMILES
CCC1=CC(=CC(=C1OCC=C)CC)CN(CC)CC
InChI
InChI=1S/C18H29NO/c1-6-11-20-18-16(7-2)12-15(13-17(18)8-3)14-19(9-4)10-5/h6,12-13H,1,7-11,14H2,2-5H3
InChIKey
YJOGVWAMWAIKQR-UHFFFAOYSA-N
Compound name
N-[(3,5-diethyl-4-prop-2-enoxyphenyl)methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.2249 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.232176 169.9
[M+Na]+ 298.214118 175.9
[M-H]- 274.217624 174.4
[M+NH4]+ 293.258723 187.3
[M+K]+ 314.188058 173.1
[M+H-H2O]+ 258.222160 162.7
[M+HCOO]- 320.223101 193.4
[M+CH3COO]- 334.238751 211.4
[M+Na-2H]- 296.199566 170.7
[M]+ 275.22435142 175.6
[M]- 275.22544858 175.6
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