CID 28345

Brn 0720034

Structural Information

Molecular Formula
C26H35FN2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCCCCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C26H35FN2O2/c1-31-26-12-8-7-10-24(26)29-20-18-28(19-21-29)17-9-5-3-2-4-6-11-25(30)22-13-15-23(27)16-14-22/h7-8,10,12-16H,2-6,9,11,17-21H2,1H3
InChIKey
YWCXYUMBAZJNGG-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-9-[4-(2-methoxyphenyl)piperazin-1-yl]nonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.26825 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.27553 209.4
[M+Na]+ 449.25747 211.3
[M-H]- 425.26097 212.5
[M+NH4]+ 444.30207 215.5
[M+K]+ 465.23141 204.7
[M+H-H2O]+ 409.26551 195.8
[M+HCOO]- 471.26645 222.2
[M+CH3COO]- 485.28210 229.9
[M+Na-2H]- 447.24292 206.4
[M]+ 426.26770 207.9
[M]- 426.26880 207.9
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.