CID 15956085

Oxyindole deriv. 23

Structural Information

Molecular Formula
C32H39N3O6
SMILES
C=CCCC1(C2=CC=CC=C2NC1=O)N(CC=C)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O
InChI
InChI=1S/C32H39N3O6/c1-3-5-16-32(24-13-9-10-14-25(24)33-30(32)37)35(17-4-2)20-27(36)26(19-22-11-7-6-8-12-22)34-31(38)41-28-21-40-29-23(28)15-18-39-29/h3-4,6-14,23,26-29,36H,1-2,5,15-21H2,(H,33,37)(H,34,38)/t23-,26-,27+,28-,29+,32?/m0/s1
InChIKey
YPUNDRMPWIYRAB-SXUHKEFISA-N
Compound name
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(3-but-3-enyl-2-oxo-1H-indol-3-yl)-prop-2-enylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

561.2839 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.29118 234.5
[M+Na]+ 584.27312 232.6
[M-H]- 560.27662 242.9
[M+NH4]+ 579.31772 241.1
[M+K]+ 600.24706 230.8
[M+H-H2O]+ 544.28116 227.9
[M+HCOO]- 606.28210 245.1
[M+CH3COO]- 620.29775 254.0
[M+Na-2H]- 582.25857 227.6
[M]+ 561.28335 234.8
[M]- 561.28445 234.8
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.