CID 138039590

2241128-50-5

Structural Information

Molecular Formula
C25H25NO4
SMILES
C1CC(C1)(C2=CCN(CC2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C25H25NO4/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/h1-4,6-10,22H,5,11-16H2,(H,27,28)
InChIKey
DLHNMMNNRUVSTR-UHFFFAOYSA-N
Compound name
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3,6-dihydro-2H-pyridin-4-yl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.17834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18562 196.8
[M+Na]+ 426.16756 204.0
[M+NH4]+ 421.21216 201.4
[M+K]+ 442.14150 198.7
[M-H]- 402.17106 198.1
[M+Na-2H]- 424.15301 200.2
[M]+ 403.17779 197.0
[M]- 403.17889 197.0
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.