CID 39235

Brn 0842016

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 355.20162 187.2
[M+Na]+ 377.18356 199.5
[M+NH4]+ 372.22816 193.4
[M+K]+ 393.15750 192.6
[M-H]- 353.18706 191.1
[M+Na-2H]- 375.16901 194.4
[M]+ 354.19379 189.9
[M]- 354.19489 189.9
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.