CID 145867674

2361874-80-6

Structural Information

Molecular Formula
C25H29NO4
SMILES
CC(C)(C)[C@@H]1CCN([C@@H](C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H29NO4/c1-25(2,3)16-12-13-26(22(14-16)23(27)28)24(29)30-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21-22H,12-15H2,1-3H3,(H,27,28)/t16-,22+/m1/s1
InChIKey
HSHZZKJQJVQJGN-ZHRRBRCNSA-N
Compound name
(2S,4R)-4-tert-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20966 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21694 198.8
[M+Na]+ 430.19888 209.3
[M+NH4]+ 425.24348 205.2
[M+K]+ 446.17282 205.3
[M-H]- 406.20238 200.8
[M+Na-2H]- 428.18433 201.5
[M]+ 407.20911 200.7
[M]- 407.21021 200.7
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.