CID 15956082

Oxyindole deriv. 22

Structural Information

Molecular Formula
C31H37N3O6
SMILES
C=CCC1(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/C31H37N3O6/c1-3-15-31(23-12-8-9-13-24(23)32-29(31)36)34(16-4-2)19-26(35)25(18-21-10-6-5-7-11-21)33-30(37)40-27-20-39-28-22(27)14-17-38-28/h3-13,22,25-28,35H,1-2,14-20H2,(H,32,36)(H,33,37)/t22-,25-,26+,27-,28+,31?/m0/s1
InChIKey
QMXOQNXRSPGBHU-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-[(2-oxo-3-prop-2-enyl-1H-indol-3-yl)-prop-2-enylamino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

547.26825 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.27553 230.4
[M+Na]+ 570.25747 229.0
[M-H]- 546.26097 239.0
[M+NH4]+ 565.30207 237.6
[M+K]+ 586.23141 227.3
[M+H-H2O]+ 530.26551 224.0
[M+HCOO]- 592.26645 241.3
[M+CH3COO]- 606.28210 251.2
[M+Na-2H]- 568.24292 224.0
[M]+ 547.26770 230.4
[M]- 547.26880 230.4
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.