CID 213930

27310-92-5

Structural Information

Molecular Formula
C21H24F2N2O
SMILES
C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CC3=CC=C(C=C3)F
InChI
InChI=1S/C21H24F2N2O/c22-19-7-3-17(4-8-19)16-25-14-12-24(13-15-25)11-1-2-21(26)18-5-9-20(23)10-6-18/h3-10H,1-2,11-16H2
InChIKey
NHCCVGURNSLPJQ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18567 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19295 187.7
[M+Na]+ 381.17489 192.1
[M-H]- 357.17839 190.4
[M+NH4]+ 376.21949 196.7
[M+K]+ 397.14883 185.4
[M+H-H2O]+ 341.18293 174.3
[M+HCOO]- 403.18387 201.0
[M+CH3COO]- 417.19952 215.9
[M+Na-2H]- 379.16034 186.6
[M]+ 358.18512 182.1
[M]- 358.18622 182.1
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.