CID 3051155

Brn 2793997

Structural Information

Molecular Formula
C28H41NO6
SMILES
CCN(CCCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(C)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C28H41NO6/c1-7-29(21(2)18-22-12-14-24(31-3)15-13-22)16-10-8-9-11-17-35-28(30)23-19-25(32-4)27(34-6)26(20-23)33-5/h12-15,19-21H,7-11,16-18H2,1-6H3
InChIKey
JQOZIRGZNXDBBC-UHFFFAOYSA-N
Compound name
6-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]hexyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.2934 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.30068 224.5
[M+Na]+ 510.28262 226.6
[M-H]- 486.28612 230.9
[M+NH4]+ 505.32722 232.0
[M+K]+ 526.25656 225.7
[M+H-H2O]+ 470.29066 213.5
[M+HCOO]- 532.29160 244.7
[M+CH3COO]- 546.30725 248.7
[M+Na-2H]- 508.26807 219.8
[M]+ 487.29285 236.9
[M]- 487.29395 236.9
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.