CID 352492

Brn 2787321

Structural Information

Molecular Formula
C24H33NO6
SMILES
CCN(CCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CC=CC=C2OC
InChI
InChI=1S/C24H33NO6/c1-6-25(14-12-18-10-7-8-11-20(18)27-2)13-9-15-31-24(26)19-16-21(28-3)23(30-5)22(17-19)29-4/h7-8,10-11,16-17H,6,9,12-15H2,1-5H3
InChIKey
DXVSECGTPAMVGF-UHFFFAOYSA-N
Compound name
3-[ethyl-[2-(2-methoxyphenyl)ethyl]amino]propyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.23077 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.23805 205.8
[M+Na]+ 454.21999 216.8
[M+NH4]+ 449.26459 210.5
[M+K]+ 470.19393 210.4
[M-H]- 430.22349 208.8
[M+Na-2H]- 452.20544 210.8
[M]+ 431.23022 208.1
[M]- 431.23132 208.1
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.