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 196.5
[M+Na]+ 419.19412 198.2
[M-H]- 395.19762 201.6
[M+NH4]+ 414.23872 203.3
[M+K]+ 435.16806 194.8
[M+H-H2O]+ 379.20216 184.7
[M+HCOO]- 441.20310 210.1
[M+CH3COO]- 455.21875 222.0
[M+Na-2H]- 417.17957 194.7
[M]+ 396.20435 195.6
[M]- 396.20545 195.6
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.