CID 63310689

1339680-62-4

Structural Information

Molecular Formula
C23H25NO4
SMILES
C1CC(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CCC(=O)O
InChI
InChI=1S/C23H25NO4/c25-22(26)12-11-16-6-5-13-24(14-16)23(27)28-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-10,16,21H,5-6,11-15H2,(H,25,26)
InChIKey
BLEWZDAVWPLFAA-UHFFFAOYSA-N
Compound name
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 191.9
[M+Na]+ 402.16756 202.8
[M+NH4]+ 397.21216 198.8
[M+K]+ 418.14150 197.7
[M-H]- 378.17106 194.5
[M+Na-2H]- 400.15301 195.0
[M]+ 379.17779 193.9
[M]- 379.17889 193.9
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.