CID 137698952

2138227-16-2

Structural Information

Molecular Formula
C24H27NO4
SMILES
CC(C)(C1CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C24H27NO4/c1-24(2,22(26)27)16-11-13-25(14-12-16)23(28)29-15-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,16,21H,11-15H2,1-2H3,(H,26,27)
InChIKey
HQEAILKAJYGQGR-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.194 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 194.3
[M+Na]+ 416.18322 204.7
[M+NH4]+ 411.22782 200.9
[M+K]+ 432.15716 200.7
[M-H]- 392.18672 196.3
[M+Na-2H]- 414.16867 197.5
[M]+ 393.19345 196.2
[M]- 393.19455 196.2
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.