CID 26081

Ethylamine, n,n-diethyl-2-((3,4,5-trimethoxybenzyl)oxy)-

Structural Information

Molecular Formula
C16H27NO4
SMILES
CCN(CC)CCOCC1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C16H27NO4/c1-6-17(7-2)8-9-21-12-13-10-14(18-3)16(20-5)15(11-13)19-4/h10-11H,6-9,12H2,1-5H3
InChIKey
CECJCPKULNJGML-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[(3,4,5-trimethoxyphenyl)methoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.194 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.20128 171.4
[M+Na]+ 320.18322 177.6
[M-H]- 296.18672 176.1
[M+NH4]+ 315.22782 187.7
[M+K]+ 336.15716 177.6
[M+H-H2O]+ 280.19126 163.7
[M+HCOO]- 342.19220 196.0
[M+CH3COO]- 356.20785 212.3
[M+Na-2H]- 318.16867 173.4
[M]+ 297.19345 181.3
[M]- 297.19455 181.3
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.