CID 15956425

Chembl426858

Structural Information

Molecular Formula
C17H15NO4
SMILES
CCOC(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)C4=CC=CO4)NC2=O
InChI
InChI=1S/C17H15NO4/c1-2-21-15(19)12-9-17(12)11-8-10(14-4-3-7-22-14)5-6-13(11)18-16(17)20/h3-8,12H,2,9H2,1H3,(H,18,20)/t12-,17-/m1/s1
InChIKey
AFJKGCMRAXGWHL-SJKOYZFVSA-N
Compound name
ethyl (1'S,3S)-5-(furan-2-yl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.1001 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10738 166.8
[M+Na]+ 320.08932 178.0
[M-H]- 296.09282 176.0
[M+NH4]+ 315.13392 180.9
[M+K]+ 336.06326 174.0
[M+H-H2O]+ 280.09736 161.8
[M+HCOO]- 342.09830 185.9
[M+CH3COO]- 356.11395 179.0
[M+Na-2H]- 318.07477 169.1
[M]+ 297.09955 172.3
[M]- 297.10065 172.3
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.