CID 15956078

Oxyindole deriv. 11

Structural Information

Molecular Formula
C33H37N3O6
SMILES
CC1(C2=CC=CC=C2NC1=O)N(CC3=CC=CC=C3)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/C33H37N3O6/c1-33(25-14-8-9-15-26(25)34-31(33)38)36(19-23-12-6-3-7-13-23)20-28(37)27(18-22-10-4-2-5-11-22)35-32(39)42-29-21-41-30-24(29)16-17-40-30/h2-15,24,27-30,37H,16-21H2,1H3,(H,34,38)(H,35,39)/t24-,27-,28+,29-,30+,33?/m0/s1
InChIKey
WJNUCRCRECFEDH-AISJYMQDSA-N
Compound name
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[benzyl-(3-methyl-2-oxo-1H-indol-3-yl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

571.26825 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.27553 229.0
[M+Na]+ 594.25747 227.2
[M-H]- 570.26097 241.0
[M+NH4]+ 589.30207 234.7
[M+K]+ 610.23141 226.7
[M+H-H2O]+ 554.26551 221.5
[M+HCOO]- 616.26645 240.1
[M+CH3COO]- 630.28210 233.7
[M+Na-2H]- 592.24292 223.5
[M]+ 571.26770 228.6
[M]- 571.26880 228.6
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.