CID 47736

Vufb-8783

Structural Information

Molecular Formula
C24H33N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)OCC(=O)NCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C24H33N3O5/c1-29-21-16-20(17-22(30-2)24(21)31-3)32-18-23(28)25-10-7-11-26-12-14-27(15-13-26)19-8-5-4-6-9-19/h4-6,8-9,16-17H,7,10-15,18H2,1-3H3,(H,25,28)
InChIKey
MBPOCPRJQKENSO-UHFFFAOYSA-N
Compound name
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(3,4,5-trimethoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.24203 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.24931 210.0
[M+Na]+ 466.23125 221.0
[M+NH4]+ 461.27585 214.4
[M+K]+ 482.20519 214.3
[M-H]- 442.23475 213.9
[M+Na-2H]- 464.21670 215.7
[M]+ 443.24148 212.4
[M]- 443.24258 212.4
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.