CID 165886875

4-benzyl-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C28H27NO4
SMILES
C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C28H27NO4/c30-26(31)28(18-20-8-2-1-3-9-20)14-16-29(17-15-28)27(32)33-19-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,25H,14-19H2,(H,30,31)
InChIKey
VYLSBQKZMLVVEL-UHFFFAOYSA-N
Compound name
4-benzyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.194 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.20128 209.2
[M+Na]+ 464.18322 212.8
[M-H]- 440.18672 216.6
[M+NH4]+ 459.22782 220.6
[M+K]+ 480.15716 206.7
[M+H-H2O]+ 424.19126 198.3
[M+HCOO]- 486.19220 221.8
[M+CH3COO]- 500.20785 216.0
[M+Na-2H]- 462.16867 208.3
[M]+ 441.19345 206.9
[M]- 441.19455 206.9
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.