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 187.3
[M+Na]+ 379.19922 188.9
[M-H]- 355.20272 190.0
[M+NH4]+ 374.24382 194.8
[M+K]+ 395.17316 184.2
[M+H-H2O]+ 339.20726 176.5
[M+HCOO]- 401.20820 199.1
[M+CH3COO]- 415.22385 210.5
[M+Na-2H]- 377.18467 186.7
[M]+ 356.20945 182.9
[M]- 356.21055 182.9
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.