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]+ 382.16490 190.7
[M+Na]+ 404.14684 195.4
[M-H]- 380.15034 194.3
[M+NH4]+ 399.19144 204.7
[M+K]+ 420.12078 190.8
[M+H-H2O]+ 364.15488 182.6
[M+HCOO]- 426.15582 203.0
[M+CH3COO]- 440.17147 212.7
[M+Na-2H]- 402.13229 191.1
[M]+ 381.15707 189.2
[M]- 381.15817 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.