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 196.4
[M+Na]+ 416.18322 200.0
[M-H]- 392.18672 200.9
[M+NH4]+ 411.22782 208.7
[M+K]+ 432.15716 195.5
[M+H-H2O]+ 376.19126 188.2
[M+HCOO]- 438.19220 207.7
[M+CH3COO]- 452.20785 219.5
[M+Na-2H]- 414.16867 195.9
[M]+ 393.19345 195.0
[M]- 393.19455 195.0
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.