CID 45026983

368866-30-2

Structural Information

Molecular Formula
C28H28N2O4
SMILES
C1CN(CCC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC5=CC=CC=C5
InChI
InChI=1S/C28H28N2O4/c31-26(32)28(14-16-30(17-15-28)18-20-8-2-1-3-9-20)29-27(33)34-19-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,25H,14-19H2,(H,29,33)(H,31,32)
InChIKey
WKLRECFIZDPMRO-UHFFFAOYSA-N
Compound name
1-benzyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2049 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.21218 212.1
[M+Na]+ 479.19412 223.7
[M+NH4]+ 474.23872 220.2
[M+K]+ 495.16806 215.6
[M-H]- 455.19762 217.5
[M+Na-2H]- 477.17957 219.1
[M]+ 456.20435 215.2
[M]- 456.20545 215.2
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.