CID 138039591

2241140-02-1

Structural Information

Molecular Formula
C25H27NO4
SMILES
C1CC(C1)(C2CCN(CC2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C25H27NO4/c27-23(28)25(12-5-13-25)17-10-14-26(15-11-17)24(29)30-16-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-4,6-9,17,22H,5,10-16H2,(H,27,28)
InChIKey
HFGROMYVVRADAI-UHFFFAOYSA-N
Compound name
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.194 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.20128 198.4
[M+Na]+ 428.18322 204.7
[M+NH4]+ 423.22782 203.0
[M+K]+ 444.15716 199.6
[M-H]- 404.18672 199.6
[M+Na-2H]- 426.16867 200.9
[M]+ 405.19345 198.4
[M]- 405.19455 198.4
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.