CID 45711

4-(n-phenethylpiperidyl)-9-fluorenecarboxylate hydrochloride

Structural Information

Molecular Formula
C27H27NO2
SMILES
C1CN(CCC1OC(=O)C2C3=CC=CC=C3C4=CC=CC=C24)CCC5=CC=CC=C5
InChI
InChI=1S/C27H27NO2/c29-27(26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26)30-21-15-18-28(19-16-21)17-14-20-8-2-1-3-9-20/h1-13,21,26H,14-19H2
InChIKey
MSRXYONEFSTZQY-UHFFFAOYSA-N
Compound name
[1-(2-phenylethyl)piperidin-4-yl] 9H-fluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.2042 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.21148 200.0
[M+Na]+ 420.19342 215.0
[M+NH4]+ 415.23802 209.4
[M+K]+ 436.16736 206.2
[M-H]- 396.19692 207.3
[M+Na-2H]- 418.17887 207.9
[M]+ 397.20365 204.3
[M]- 397.20475 204.3
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.