CID 218646

1-butanone, 1-(4-fluorophenyl)-4-(4-(2-(4-methoxyphenoxy)ethyl)-1-piperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H29FN2O3
SMILES
COC1=CC=C(C=C1)OCCN2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H29FN2O3/c1-28-21-8-10-22(11-9-21)29-18-17-26-15-13-25(14-16-26)12-2-3-23(27)19-4-6-20(24)7-5-19/h4-11H,2-3,12-18H2,1H3
InChIKey
NJRNABDAJHPEPU-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.21622 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22350 199.1
[M+Na]+ 423.20544 202.2
[M-H]- 399.20894 202.9
[M+NH4]+ 418.25004 206.3
[M+K]+ 439.17938 197.0
[M+H-H2O]+ 383.21348 186.0
[M+HCOO]- 445.21442 213.2
[M+CH3COO]- 459.23007 223.2
[M+Na-2H]- 421.19089 197.8
[M]+ 400.21567 198.1
[M]- 400.21677 198.1
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.