CID 501365

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

Structural Information

Molecular Formula
C34H31NO6
SMILES
C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=CC=CC=C4C(=O)C3=O)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI
InChI=1S/C34H31NO6/c36-30-27-18-10-11-19-28(27)35(33(30)37)34-32(40-22-26-16-8-3-9-17-26)31(39-21-25-14-6-2-7-15-25)29(41-34)23-38-20-24-12-4-1-5-13-24/h1-19,29,31-32,34H,20-23H2/t29-,31-,32-,34-/m1/s1
InChIKey
GBLLWHPQPREILV-UVBUXLLRSA-N
Compound name
1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

549.21515 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.22243 232.3
[M+Na]+ 572.20437 236.1
[M-H]- 548.20787 247.5
[M+NH4]+ 567.24897 237.0
[M+K]+ 588.17831 231.7
[M+H-H2O]+ 532.21241 220.4
[M+HCOO]- 594.21335 248.9
[M+CH3COO]- 608.22900 239.1
[M+Na-2H]- 570.18982 226.8
[M]+ 549.21460 235.8
[M]- 549.21570 235.8
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.