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 208.5
[M+Na]+ 466.23125 210.7
[M-H]- 442.23475 213.9
[M+NH4]+ 461.27585 213.7
[M+K]+ 482.20519 207.4
[M+H-H2O]+ 426.23929 195.8
[M+HCOO]- 488.24023 224.7
[M+CH3COO]- 502.25588 233.6
[M+Na-2H]- 464.21670 207.7
[M]+ 443.24148 211.3
[M]- 443.24258 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.