CID 44863

4'-(2-hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone

Structural Information

Molecular Formula
C23H30N2O3
SMILES
CCCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C23H30N2O3/c1-2-6-23(27)19-9-11-22(12-10-19)28-18-21(26)17-24-13-15-25(16-14-24)20-7-4-3-5-8-20/h3-5,7-12,21,26H,2,6,13-18H2,1H3
InChIKey
IUNBSQBAZSNEOK-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.22565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.23293 195.2
[M+Na]+ 405.21487 196.5
[M-H]- 381.21837 198.7
[M+NH4]+ 400.25947 202.0
[M+K]+ 421.18881 191.6
[M+H-H2O]+ 365.22291 183.5
[M+HCOO]- 427.22385 207.9
[M+CH3COO]- 441.23950 218.0
[M+Na-2H]- 403.20032 193.8
[M]+ 382.22510 192.4
[M]- 382.22620 192.4
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.