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]+ 408.216936 201.3
[M+Na]+ 430.198878 205.4
[M-H]- 406.202384 206.1
[M+NH4]+ 425.243483 213.4
[M+K]+ 446.172818 200.8
[M+H-H2O]+ 390.206920 193.3
[M+HCOO]- 452.207861 212.2
[M+CH3COO]- 466.223511 223.1
[M+Na-2H]- 428.184326 199.6
[M]+ 407.20911142 200.5
[M]- 407.21020858 200.5
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.