CID 501367

1-(3,4-bis-benzyloxy-5-benzyloxymethyl-tetrahydro-furan-2-yl)-5-fluoro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C34H30FNO6
SMILES
C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C=C(C=C4)F)C(=O)C3=O)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI
InChI=1S/C34H30FNO6/c35-26-16-17-28-27(18-26)30(37)33(38)36(28)34-32(41-21-25-14-8-3-9-15-25)31(40-20-24-12-6-2-7-13-24)29(42-34)22-39-19-23-10-4-1-5-11-23/h1-18,29,31-32,34H,19-22H2/t29-,31-,32-,34-/m1/s1
InChIKey
YSGZYXILDNENGQ-UVBUXLLRSA-N
Compound name
1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoroindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

567.2057 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.21298 236.8
[M+Na]+ 590.19492 241.5
[M-H]- 566.19842 251.1
[M+NH4]+ 585.23952 241.0
[M+K]+ 606.16886 236.6
[M+H-H2O]+ 550.20296 224.1
[M+HCOO]- 612.20390 252.3
[M+CH3COO]- 626.21955 243.2
[M+Na-2H]- 588.18037 230.0
[M]+ 567.20515 239.9
[M]- 567.20625 239.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.