CID 115421

1-(4-phenylpiperazin-1-yl)-3-(4-propanoylphenoxy)propan-2-yl acetate

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)OC(=O)C
InChI
InChI=1S/C24H30N2O4/c1-3-24(28)20-9-11-22(12-10-20)29-18-23(30-19(2)27)17-25-13-15-26(16-14-25)21-7-5-4-6-8-21/h4-12,23H,3,13-18H2,1-2H3
InChIKey
HHXKJHBLIWETHV-UHFFFAOYSA-N
Compound name
[1-(4-phenylpiperazin-1-yl)-3-(4-propanoylphenoxy)propan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22055 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.227826 200.9
[M+Na]+ 433.209768 202.1
[M-H]- 409.213274 205.8
[M+NH4]+ 428.254373 207.1
[M+K]+ 449.183708 198.5
[M+H-H2O]+ 393.217810 188.9
[M+HCOO]- 455.218751 214.1
[M+CH3COO]- 469.234401 224.9
[M+Na-2H]- 431.195216 198.5
[M]+ 410.22000142 200.3
[M]- 410.22109858 200.3
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.