CID 218618

40943-88-2

Structural Information

Molecular Formula
C24H31FN2O4
SMILES
COC1=CC=CC=C1OCC(CN2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C24H31FN2O4/c1-30-23-6-2-3-7-24(23)31-18-21(28)17-27-15-13-26(14-16-27)12-4-5-22(29)19-8-10-20(25)11-9-19/h2-3,6-11,21,28H,4-5,12-18H2,1H3
InChIKey
CNGWDRDNZHXCRT-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.22678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.23406 205.6
[M+Na]+ 453.21600 207.2
[M-H]- 429.21950 207.9
[M+NH4]+ 448.26060 210.5
[M+K]+ 469.18994 202.4
[M+H-H2O]+ 413.22404 192.7
[M+HCOO]- 475.22498 217.0
[M+CH3COO]- 489.24063 226.8
[M+Na-2H]- 451.20145 202.5
[M]+ 430.22623 203.9
[M]- 430.22733 203.9
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.