CID 46205

63990-86-3

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CC(=O)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=C3)OC(=O)C
InChI
InChI=1S/C23H28N2O4/c1-18(26)22-10-6-7-11-23(22)28-17-21(29-19(2)27)16-24-12-14-25(15-13-24)20-8-4-3-5-9-20/h3-11,21H,12-17H2,1-2H3
InChIKey
UPACVPLWVRXAKD-UHFFFAOYSA-N
Compound name
[1-(2-acetylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2049 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21218 196.0
[M+Na]+ 419.19412 207.6
[M+NH4]+ 414.23872 201.2
[M+K]+ 435.16806 201.4
[M-H]- 395.19762 199.4
[M+Na-2H]- 417.17957 202.6
[M]+ 396.20435 198.4
[M]- 396.20545 198.4
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.