CID 165893939

2384945-92-8

Structural Information

Molecular Formula
C27H25NO4
SMILES
C1CC(N(CC1C2=CC=CC=C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C27H25NO4/c29-26(30)25-15-14-19(18-8-2-1-3-9-18)16-28(25)27(31)32-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24-25H,14-17H2,(H,29,30)
InChIKey
ZZVIPHPHAATVGA-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-phenylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.17834 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.18562 204.2
[M+Na]+ 450.16756 217.6
[M+NH4]+ 445.21216 211.7
[M+K]+ 466.14150 211.3
[M-H]- 426.17106 209.7
[M+Na-2H]- 448.15301 210.2
[M]+ 427.17779 207.6
[M]- 427.17889 207.6
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.