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 196.6
[M+Na]+ 426.16756 199.6
[M-H]- 402.17106 204.0
[M+NH4]+ 421.21216 203.6
[M+K]+ 442.14150 197.7
[M+H-H2O]+ 386.17560 182.3
[M+HCOO]- 448.17654 208.8
[M+CH3COO]- 462.19219 203.9
[M+Na-2H]- 424.15301 195.5
[M]+ 403.17779 203.2
[M]- 403.17889 203.2
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.