CID 165888769

Rac-(2r,4s)-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-4-phenylpiperidine-2-carboxylic acid

Structural Information

Molecular Formula
C27H25NO4
SMILES
C1CN([C@@H](C[C@@H]1C2=CC=CC=C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H25NO4/c29-26(30)25-16-19(18-8-2-1-3-9-18)14-15-28(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)/t19-,25+/m1/s1
InChIKey
NJOJEPMRNWNGRU-CLOONOSVSA-N
Compound name
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-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 203.3
[M+Na]+ 450.16756 207.1
[M-H]- 426.17106 211.0
[M+NH4]+ 445.21216 213.5
[M+K]+ 466.14150 201.1
[M+H-H2O]+ 410.17560 192.9
[M+HCOO]- 472.17654 216.2
[M+CH3COO]- 486.19219 210.5
[M+Na-2H]- 448.15301 201.4
[M]+ 427.17779 200.8
[M]- 427.17889 200.8
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.