CID 210568

21301-90-6

Structural Information

Molecular Formula
C26H35FN2O2
SMILES
CC(C)CCOC(CN1CCN(CC1)CCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C26H35FN2O2/c1-21(2)13-19-31-26(23-6-4-3-5-7-23)20-29-17-15-28(16-18-29)14-12-25(30)22-8-10-24(27)11-9-22/h3-11,21,26H,12-20H2,1-2H3
InChIKey
FNSPOZGEYXNXGX-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.26825 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.27553 208.4
[M+Na]+ 449.25747 208.8
[M-H]- 425.26097 211.3
[M+NH4]+ 444.30207 214.1
[M+K]+ 465.23141 203.3
[M+H-H2O]+ 409.26551 195.2
[M+HCOO]- 471.26645 219.3
[M+CH3COO]- 485.28210 230.4
[M+Na-2H]- 447.24292 204.0
[M]+ 426.26770 205.4
[M]- 426.26880 205.4
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.