CID 15956364

Chembl382195

Structural Information

Molecular Formula
C18H12ClNO2
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=CC5=CC=CC=C5O4
InChI
InChI=1S/C18H12ClNO2/c19-11-5-6-14-12(8-11)18(17(21)20-14)9-13(18)16-7-10-3-1-2-4-15(10)22-16/h1-8,13H,9H2,(H,20,21)/t13-,18-/m1/s1
InChIKey
OPDMZVISKAWHLG-FZKQIMNGSA-N
Compound name
(2'S,3S)-2'-(1-benzofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.05566 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.06294 167.7
[M+Na]+ 332.04488 182.5
[M-H]- 308.04838 177.9
[M+NH4]+ 327.08948 183.4
[M+K]+ 348.01882 175.4
[M+H-H2O]+ 292.05292 162.3
[M+HCOO]- 354.05386 183.5
[M+CH3COO]- 368.06951 180.6
[M+Na-2H]- 330.03033 171.8
[M]+ 309.05511 174.4
[M]- 309.05621 174.4
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.