CID 3051162

67293-46-3

Structural Information

Molecular Formula
C25H35NO5
SMILES
CCN(CCCC(C)OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CC=CC=C2
InChI
InChI=1S/C25H35NO5/c1-6-26(16-14-20-12-8-7-9-13-20)15-10-11-19(2)31-25(27)21-17-22(28-3)24(30-5)23(18-21)29-4/h7-9,12-13,17-19H,6,10-11,14-16H2,1-5H3
InChIKey
XDSJQTAZRVHBOS-UHFFFAOYSA-N
Compound name
5-[ethyl(2-phenylethyl)amino]pentan-2-yl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.25153 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.25881 207.1
[M+Na]+ 452.24075 217.6
[M+NH4]+ 447.28535 212.1
[M+K]+ 468.21469 211.1
[M-H]- 428.24425 210.3
[M+Na-2H]- 450.22620 212.1
[M]+ 429.25098 209.3
[M]- 429.25208 209.3
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.