CID 3051171

Brn 2791839

Structural Information

Molecular Formula
C27H39NO6
SMILES
CCCCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(C)CC2=CC=C(C=C2)O
InChI
InChI=1S/C27H39NO6/c1-6-7-14-28(20(2)17-21-10-12-23(29)13-11-21)15-8-9-16-34-27(30)22-18-24(31-3)26(33-5)25(19-22)32-4/h10-13,18-20,29H,6-9,14-17H2,1-5H3
InChIKey
ZDZIJSNEAPLQJU-UHFFFAOYSA-N
Compound name
4-[butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]butyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.27774 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.285016 219.9
[M+Na]+ 496.266958 222.0
[M-H]- 472.270464 225.2
[M+NH4]+ 491.311563 227.3
[M+K]+ 512.240898 220.6
[M+H-H2O]+ 456.275000 209.4
[M+HCOO]- 518.275941 239.0
[M+CH3COO]- 532.291591 243.6
[M+Na-2H]- 494.252406 215.4
[M]+ 473.27719142 230.1
[M]- 473.27828858 230.1
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.