CID 215710

Brn 0578134

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CC(=O)CC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C22H28N2O3/c1-18(25)15-19-7-9-22(10-8-19)27-17-21(26)16-23-11-13-24(14-12-23)20-5-3-2-4-6-20/h2-10,21,26H,11-17H2,1H3
InChIKey
IYQFTMYXJCJXBY-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

368.21 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 190.8
[M+Na]+ 391.19922 192.7
[M-H]- 367.20272 194.6
[M+NH4]+ 386.24382 198.3
[M+K]+ 407.17316 187.9
[M+H-H2O]+ 351.20726 179.4
[M+HCOO]- 413.20820 203.9
[M+CH3COO]- 427.22385 215.0
[M+Na-2H]- 389.18467 190.0
[M]+ 368.20945 187.7
[M]- 368.21055 187.7
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

patents stripe