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 191.6
[M+Na]+ 402.16756 195.4
[M-H]- 378.17106 196.1
[M+NH4]+ 397.21216 204.4
[M+K]+ 418.14150 190.3
[M+H-H2O]+ 362.17560 182.8
[M+HCOO]- 424.17654 204.9
[M+CH3COO]- 438.19219 216.1
[M+Na-2H]- 400.15301 190.4
[M]+ 379.17779 190.3
[M]- 379.17889 190.3
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.