CID 132350938

2138390-21-1

Structural Information

Molecular Formula
C22H23NO5
SMILES
C1CC(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)(CC(=O)O)O
InChI
InChI=1S/C22H23NO5/c24-20(25)12-22(27)10-5-11-23(14-22)21(26)28-13-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19,27H,5,10-14H2,(H,24,25)
InChIKey
ZFORXGLBDIREBB-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxypiperidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15762 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.164896 190.7
[M+Na]+ 404.146838 195.4
[M-H]- 380.150344 194.3
[M+NH4]+ 399.191443 204.7
[M+K]+ 420.120778 190.8
[M+H-H2O]+ 364.154880 182.6
[M+HCOO]- 426.155821 203.0
[M+CH3COO]- 440.171471 212.7
[M+Na-2H]- 402.132286 191.1
[M]+ 381.15707142 189.2
[M]- 381.15816858 189.2
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.