CID 137965667

2230803-86-6

Structural Information

Molecular Formula
C24H25NO5
SMILES
C1COCCC12CC(N(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C24H25NO5/c26-22(27)21-13-24(9-11-29-12-10-24)15-25(21)23(28)30-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20-21H,9-15H2,(H,26,27)
InChIKey
LLNYTBNUGITGLE-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.17328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.180556 197.0
[M+Na]+ 430.162498 201.2
[M-H]- 406.166004 204.7
[M+NH4]+ 425.207103 211.1
[M+K]+ 446.136438 197.6
[M+H-H2O]+ 390.170540 189.2
[M+HCOO]- 452.171481 208.4
[M+CH3COO]- 466.187131 205.0
[M+Na-2H]- 428.147946 194.8
[M]+ 407.17273142 194.6
[M]- 407.17382858 194.6
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.