CID 117431

Wv 770

Structural Information

Molecular Formula
C24H33NO6
SMILES
CC(C)C1=C(C=C(C=C1)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCCN(C)C
InChI
InChI=1S/C24H33NO6/c1-16(2)19-9-8-17(12-20(19)30-11-10-25(3)4)15-31-24(26)18-13-21(27-5)23(29-7)22(14-18)28-6/h8-9,12-14,16H,10-11,15H2,1-7H3
InChIKey
JWHBBRRYYJCVIC-UHFFFAOYSA-N
Compound name
[3-[2-(dimethylamino)ethoxy]-4-propan-2-ylphenyl]methyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.23077 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.23805 205.0
[M+Na]+ 454.21999 216.0
[M+NH4]+ 449.26459 209.5
[M+K]+ 470.19393 210.7
[M-H]- 430.22349 207.8
[M+Na-2H]- 452.20544 209.4
[M]+ 431.23022 207.2
[M]- 431.23132 207.2
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.