CID 46262

63991-29-7

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC(C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O)O
InChI
InChI=1S/C21H28N2O3/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/h2-9,14,17,20,24-25H,10-13,15-16H2,1H3
InChIKey
HNKABTQJLCYRIG-UHFFFAOYSA-N
Compound name
1-[3-(1-hydroxyethyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 188.7
[M+Na]+ 379.19922 200.4
[M+NH4]+ 374.24382 194.8
[M+K]+ 395.17316 194.0
[M-H]- 355.20272 192.4
[M+Na-2H]- 377.18467 195.4
[M]+ 356.20945 191.2
[M]- 356.21055 191.2
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.