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]+ 418.16490 198.1
[M+Na]+ 440.14684 202.8
[M-H]- 416.15034 207.5
[M+NH4]+ 435.19144 209.6
[M+K]+ 456.12078 199.2
[M+H-H2O]+ 400.15488 190.1
[M+HCOO]- 462.15582 212.1
[M+CH3COO]- 476.17147 206.7
[M+Na-2H]- 438.13229 195.1
[M]+ 417.15707 198.3
[M]- 417.15817 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.