CID 13196302

89011-91-6

Structural Information

Molecular Formula
C26H34FN3O2
SMILES
CC(CN1CCN(CC1)CC(C2=CC=C(C=C2)F)N3CCCC3)C(=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C26H34FN3O2/c1-20(26(32)22-6-10-24(31)11-7-22)18-28-14-16-29(17-15-28)19-25(30-12-2-3-13-30)21-4-8-23(27)9-5-21/h4-11,20,25,31H,2-3,12-19H2,1H3
InChIKey
WXJFATZCSMWRJD-UHFFFAOYSA-N
Compound name
3-[4-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-1-(4-hydroxyphenyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.26352 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.27080 208.7
[M+Na]+ 462.25274 208.5
[M-H]- 438.25624 212.5
[M+NH4]+ 457.29734 213.2
[M+K]+ 478.22668 202.2
[M+H-H2O]+ 422.26078 195.3
[M+HCOO]- 484.26172 215.9
[M+CH3COO]- 498.27737 228.6
[M+Na-2H]- 460.23819 200.8
[M]+ 439.26297 200.3
[M]- 439.26407 200.3
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.