CID 101558

93-31-2

Structural Information

Molecular Formula
C22H29NO5
SMILES
CCOC1=C(C=C(C=C1)CC(=O)NC(C)CC2=CC(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C22H29NO5/c1-6-28-19-10-8-17(13-21(19)27-5)14-22(24)23-15(2)11-16-7-9-18(25-3)20(12-16)26-4/h7-10,12-13,15H,6,11,14H2,1-5H3,(H,23,24)
InChIKey
UGBCLZKPTMPXNS-UHFFFAOYSA-N
Compound name
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.20456 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.211836 194.8
[M+Na]+ 410.193778 199.7
[M-H]- 386.197284 201.1
[M+NH4]+ 405.238383 206.1
[M+K]+ 426.167718 197.9
[M+H-H2O]+ 370.201820 185.4
[M+HCOO]- 432.202761 216.5
[M+CH3COO]- 446.218411 226.2
[M+Na-2H]- 408.179226 193.8
[M]+ 387.20401142 202.6
[M]- 387.20510858 202.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.