CID 138040819

2490401-41-5

Structural Information

Molecular Formula
C24H23NO6
SMILES
C1C2(CC1(C3(O2)COC3)C(=O)O)CNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C24H23NO6/c26-20(27)23-10-22(11-23,31-24(23)13-29-14-24)12-25-21(28)30-9-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,25,28)(H,26,27)
InChIKey
UGDZDRLLBRAUKT-UHFFFAOYSA-N
Compound name
1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]spiro[2-oxabicyclo[2.1.1]hexane-3,3'-oxetane]-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.15253 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.15981 191.8
[M+Na]+ 444.14175 190.5
[M+NH4]+ 439.18635 195.3
[M+K]+ 460.11569 189.6
[M-H]- 420.14525 189.3
[M+Na-2H]- 442.12720 187.6
[M]+ 421.15198 189.0
[M]- 421.15308 189.0
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.