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]+ 444.249306 208.5
[M+Na]+ 466.231248 210.7
[M-H]- 442.234754 213.9
[M+NH4]+ 461.275853 213.7
[M+K]+ 482.205188 207.4
[M+H-H2O]+ 426.239290 195.8
[M+HCOO]- 488.240231 224.7
[M+CH3COO]- 502.255881 233.6
[M+Na-2H]- 464.216696 207.7
[M]+ 443.24148142 211.3
[M]- 443.24257858 211.3
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.