CID 15956084

Oxyindole deriv. 28

Structural Information

Molecular Formula
C29H35N3O6
SMILES
C1CCN(C2(C1)C3=CC=CC=C3NC2=O)C[C@H]([C@H](CC4=CC=CC=C4)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6)O
InChI
InChI=1S/C29H35N3O6/c33-24(17-32-14-7-6-13-29(32)21-10-4-5-11-22(21)30-27(29)34)23(16-19-8-2-1-3-9-19)31-28(35)38-25-18-37-26-20(25)12-15-36-26/h1-5,8-11,20,23-26,33H,6-7,12-18H2,(H,30,34)(H,31,35)/t20-,23-,24+,25-,26+,29?/m0/s1
InChIKey
NJQZGKXPQSYAMD-DZQIDBRZSA-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-(2-oxospiro[1H-indole-3,2'-piperidine]-1'-yl)-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

521.25256 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.25984 216.8
[M+Na]+ 544.24178 215.6
[M-H]- 520.24528 224.9
[M+NH4]+ 539.28638 223.5
[M+K]+ 560.21572 213.9
[M+H-H2O]+ 504.24982 209.4
[M+HCOO]- 566.25076 222.3
[M+CH3COO]- 580.26641 221.0
[M+Na-2H]- 542.22723 210.1
[M]+ 521.25201 211.8
[M]- 521.25311 211.8
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.