CID 15956077

Oxyindole deriv. 10

Structural Information

Molecular Formula
C31H41N3O6
SMILES
CC(C)CCN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)C4(C5=CC=CC=C5NC4=O)C
InChI
InChI=1S/C31H41N3O6/c1-20(2)13-15-34(31(3)23-11-7-8-12-24(23)32-29(31)36)18-26(35)25(17-21-9-5-4-6-10-21)33-30(37)40-27-19-39-28-22(27)14-16-38-28/h4-12,20,22,25-28,35H,13-19H2,1-3H3,(H,32,36)(H,33,37)/t22-,25-,26+,27-,28+,31?/m0/s1
InChIKey
NUVAAKOSCBUFEQ-ONDWPURDSA-N
Compound name
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[3-methylbutyl-(3-methyl-2-oxo-1H-indol-3-yl)amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

551.29956 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.30684 231.8
[M+Na]+ 574.28878 229.5
[M-H]- 550.29228 240.5
[M+NH4]+ 569.33338 238.9
[M+K]+ 590.26272 229.7
[M+H-H2O]+ 534.29682 225.7
[M+HCOO]- 596.29776 241.4
[M+CH3COO]- 610.31341 253.1
[M+Na-2H]- 572.27423 224.5
[M]+ 551.29901 232.7
[M]- 551.30011 232.7
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.