CID 3051173

Brn 2791269

Structural Information

Molecular Formula
C25H35NO6
SMILES
CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(C)CC2=CC=C(C=C2)O
InChI
InChI=1S/C25H35NO6/c1-6-26(18(2)15-19-9-11-21(27)12-10-19)13-7-8-14-32-25(28)20-16-22(29-3)24(31-5)23(17-20)30-4/h9-12,16-18,27H,6-8,13-15H2,1-5H3
InChIKey
FOSCIGRBPIPVJP-UHFFFAOYSA-N
Compound name
4-[ethyl-[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

445.24643 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.25371 210.9
[M+Na]+ 468.23565 213.9
[M-H]- 444.23915 216.6
[M+NH4]+ 463.28025 219.5
[M+K]+ 484.20959 212.9
[M+H-H2O]+ 428.24369 200.8
[M+HCOO]- 490.24463 230.7
[M+CH3COO]- 504.26028 237.9
[M+Na-2H]- 466.22110 207.4
[M]+ 445.24588 220.5
[M]- 445.24698 220.5
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.