CID 132350937

2138374-29-3

Structural Information

Molecular Formula
C22H23NO5
SMILES
C1CN(CCC1C(C(=O)O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO5/c24-20(21(25)26)14-9-11-23(12-10-14)22(27)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19-20,24H,9-13H2,(H,25,26)
InChIKey
PENZOPQDRUIPBT-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15762 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.164896 189.0
[M+Na]+ 404.146838 192.1
[M-H]- 380.150344 192.3
[M+NH4]+ 399.191443 200.8
[M+K]+ 420.120778 188.0
[M+H-H2O]+ 364.154880 180.9
[M+HCOO]- 426.155821 200.2
[M+CH3COO]- 440.171471 214.2
[M+Na-2H]- 402.132286 187.2
[M]+ 381.15707142 186.5
[M]- 381.15816858 186.5
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.