CID 3051150

Brn 2796393

Structural Information

Molecular Formula
C28H41NO8
SMILES
CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(C)CC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C28H41NO8/c1-9-29(19(2)14-20-15-22(31-3)26(35-7)23(16-20)32-4)12-10-11-13-37-28(30)21-17-24(33-5)27(36-8)25(18-21)34-6/h15-19H,9-14H2,1-8H3
InChIKey
NJZZIEKBPIHROF-UHFFFAOYSA-N
Compound name
4-[ethyl-[1-(3,4,5-trimethoxyphenyl)propan-2-yl]amino]butyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.2832 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.29048 227.8
[M+Na]+ 542.27242 231.1
[M-H]- 518.27592 234.9
[M+NH4]+ 537.31702 234.3
[M+K]+ 558.24636 232.2
[M+H-H2O]+ 502.28046 216.8
[M+HCOO]- 564.28140 248.2
[M+CH3COO]- 578.29705 255.5
[M+Na-2H]- 540.25787 222.4
[M]+ 519.28265 243.8
[M]- 519.28375 243.8
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.