CID 165948207

2866308-21-4

Structural Information

Molecular Formula
C25H23NO5
SMILES
C1CN(CCC1C2=CC=C(O2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H23NO5/c27-24(28)23-10-9-22(31-23)16-11-13-26(14-12-16)25(29)30-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,16,21H,11-15H2,(H,27,28)
InChIKey
FLRDAXWTIJKHHN-UHFFFAOYSA-N
Compound name
5-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.15762 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.164896 198.1
[M+Na]+ 440.146838 202.8
[M-H]- 416.150344 207.5
[M+NH4]+ 435.191443 209.6
[M+K]+ 456.120778 199.2
[M+H-H2O]+ 400.154880 190.1
[M+HCOO]- 462.155821 212.1
[M+CH3COO]- 476.171471 206.7
[M+Na-2H]- 438.132286 195.1
[M]+ 417.15707142 198.3
[M]- 417.15816858 198.3
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.