CID 15956409

Chembl205266

Structural Information

Molecular Formula
C13H12ClNO3
SMILES
CCOC(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)Cl)NC2=O
InChI
InChI=1S/C13H12ClNO3/c1-2-18-11(16)9-6-13(9)8-5-7(14)3-4-10(8)15-12(13)17/h3-5,9H,2,6H2,1H3,(H,15,17)/t9-,13-/m1/s1
InChIKey
MKWAVIYAYROLPX-NOZJJQNGSA-N
Compound name
ethyl (1'S,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.05057 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05785 158.2
[M+Na]+ 288.03979 170.5
[M-H]- 264.04329 163.3
[M+NH4]+ 283.08439 174.3
[M+K]+ 304.01373 164.2
[M+H-H2O]+ 248.04783 153.7
[M+HCOO]- 310.04877 172.9
[M+CH3COO]- 324.06442 194.3
[M+Na-2H]- 286.02524 161.6
[M]+ 265.05002 163.7
[M]- 265.05112 163.7
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.