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]+ 406.201276 197.0
[M+Na]+ 428.183218 199.1
[M-H]- 404.186724 203.9
[M+NH4]+ 423.227823 203.9
[M+K]+ 444.157158 197.3
[M+H-H2O]+ 388.191260 182.8
[M+HCOO]- 450.192201 207.8
[M+CH3COO]- 464.207851 203.8
[M+Na-2H]- 426.168666 195.1
[M]+ 405.19345142 202.2
[M]- 405.19454858 202.2
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.