CID 3087255

Butyrophenone, 4-(4-(p-cyclopentylphenyl)-1-piperazinyl)-4'-fluoro-, maleate

Structural Information

Molecular Formula
C25H31FN2O
SMILES
C1CCC(C1)C2=CC=C(C=C2)N3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C25H31FN2O/c26-23-11-7-22(8-12-23)25(29)6-3-15-27-16-18-28(19-17-27)24-13-9-21(10-14-24)20-4-1-2-5-20/h7-14,20H,1-6,15-19H2
InChIKey
ARHGTRVBKLHRFZ-UHFFFAOYSA-N
Compound name
4-[4-(4-cyclopentylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.24203 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.24931 199.3
[M+Na]+ 417.23125 200.9
[M-H]- 393.23475 205.7
[M+NH4]+ 412.27585 208.0
[M+K]+ 433.20519 193.9
[M+H-H2O]+ 377.23929 186.2
[M+HCOO]- 439.24023 211.5
[M+CH3COO]- 453.25588 205.6
[M+Na-2H]- 415.21670 194.0
[M]+ 394.24148 191.5
[M]- 394.24258 191.5
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

patents stripe