CID 13196294

89011-84-7

Structural Information

Molecular Formula
C26H34FN3O
SMILES
CC(CN1CCN(CC1)CC(C2=CC=C(C=C2)F)N3CCCC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H34FN3O/c1-21(26(31)23-7-3-2-4-8-23)19-28-15-17-29(18-16-28)20-25(30-13-5-6-14-30)22-9-11-24(27)12-10-22/h2-4,7-12,21,25H,5-6,13-20H2,1H3
InChIKey
BHBWNYBKKMRJJJ-UHFFFAOYSA-N
Compound name
3-[4-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.2686 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.27588 208.3
[M+Na]+ 446.25782 218.3
[M+NH4]+ 441.30242 214.0
[M+K]+ 462.23176 212.6
[M-H]- 422.26132 212.3
[M+Na-2H]- 444.24327 214.4
[M]+ 423.26805 210.5
[M]- 423.26915 210.5
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