CID 46161

63990-49-8

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C21H26N2O3/c1-17(24)18-7-9-21(10-8-18)26-16-20(25)15-22-11-13-23(14-12-22)19-5-3-2-4-6-19/h2-10,20,25H,11-16H2,1H3
InChIKey
HCECCXWIJRUZPU-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

354.19434 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.201616 186.4
[M+Na]+ 377.183558 188.8
[M-H]- 353.187064 190.4
[M+NH4]+ 372.228163 194.5
[M+K]+ 393.157498 184.2
[M+H-H2O]+ 337.191600 175.2
[M+HCOO]- 399.192541 199.9
[M+CH3COO]- 413.208191 212.1
[M+Na-2H]- 375.169006 186.2
[M]+ 354.19379142 183.0
[M]- 354.19488858 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.