CID 39504

49646-03-9

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC(C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=C3)O)O
InChI
InChI=1S/C21H28N2O3/c1-17(24)20-9-5-6-10-21(20)26-16-19(25)15-22-11-13-23(14-12-22)18-7-3-2-4-8-18/h2-10,17,19,24-25H,11-16H2,1H3
InChIKey
BQUJIAHAZAJIKW-UHFFFAOYSA-N
Compound name
1-[2-(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]+ 357.217276 187.3
[M+Na]+ 379.199218 188.9
[M-H]- 355.202724 190.0
[M+NH4]+ 374.243823 194.8
[M+K]+ 395.173158 184.2
[M+H-H2O]+ 339.207260 176.5
[M+HCOO]- 401.208201 199.1
[M+CH3COO]- 415.223851 210.5
[M+Na-2H]- 377.184666 186.7
[M]+ 356.20945142 182.9
[M]- 356.21054858 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.