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 206.3
[M+Na]+ 454.21999 210.6
[M-H]- 430.22349 213.6
[M+NH4]+ 449.26459 216.3
[M+K]+ 470.19393 209.9
[M+H-H2O]+ 414.22803 195.9
[M+HCOO]- 476.22897 229.0
[M+CH3COO]- 490.24462 236.4
[M+Na-2H]- 452.20544 204.9
[M]+ 431.23022 218.0
[M]- 431.23132 218.0
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.