CID 3066229

M.g. 16327

Structural Information

Molecular Formula
C31H35F2N3O
SMILES
C1CN(C(=O)CC1C2=CC=CC=C2)CCCN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C31H35F2N3O/c32-28-11-7-25(8-12-28)31(26-9-13-29(33)14-10-26)36-21-19-34(20-22-36)16-4-17-35-18-15-27(23-30(35)37)24-5-2-1-3-6-24/h1-3,5-14,27,31H,4,15-23H2
InChIKey
HQIGLLMQKADYGY-UHFFFAOYSA-N
Compound name
1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-4-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.2748 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.28208 231.6
[M+Na]+ 526.26402 244.6
[M+NH4]+ 521.30862 236.8
[M+K]+ 542.23796 234.2
[M-H]- 502.26752 237.4
[M+Na-2H]- 524.24947 239.4
[M]+ 503.27425 235.0
[M]- 503.27535 235.0
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.