CID 15956083

Oxyindole deriv. 26

Structural Information

Molecular Formula
C29H33N3O6
SMILES
C1CO[C@H]2[C@@H]1[C@H](CO2)OC(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CN4CC=CCC45C6=CC=CC=C6NC5=O)O
InChI
InChI=1S/C29H33N3O6/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/h1-11,20,23-26,33H,12-18H2,(H,30,34)(H,31,35)/t20-,23-,24+,25-,26+,29?/m0/s1
InChIKey
SFWDZUDCHHDDNN-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-3,6'-2,5-dihydropyridine]-1'-yl)-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

519.23694 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.24422 216.0
[M+Na]+ 542.22616 215.8
[M-H]- 518.22966 224.7
[M+NH4]+ 537.27076 222.9
[M+K]+ 558.20010 214.0
[M+H-H2O]+ 502.23420 208.6
[M+HCOO]- 564.23514 223.0
[M+CH3COO]- 578.25079 220.8
[M+Na-2H]- 540.21161 210.2
[M]+ 519.23639 212.4
[M]- 519.23749 212.4
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.