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]+ 474.28502 219.9
[M+Na]+ 496.26696 222.0
[M-H]- 472.27046 225.2
[M+NH4]+ 491.31156 227.3
[M+K]+ 512.24090 220.6
[M+H-H2O]+ 456.27500 209.4
[M+HCOO]- 518.27594 239.0
[M+CH3COO]- 532.29159 243.6
[M+Na-2H]- 494.25241 215.4
[M]+ 473.27719 230.1
[M]- 473.27829 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.