CID 15956435

Chembl202843

Structural Information

Molecular Formula
C13H13BrN2O3
SMILES
CN(C(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)Br)NC2=O)OC
InChI
InChI=1S/C13H13BrN2O3/c1-16(19-2)11(17)9-6-13(9)8-5-7(14)3-4-10(8)15-12(13)18/h3-5,9H,6H2,1-2H3,(H,15,18)/t9-,13-/m1/s1
InChIKey
NIILISNPWIGMKY-NOZJJQNGSA-N
Compound name
(1'S,3S)-5-bromo-N-methoxy-N-methyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.01096 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.01824 167.3
[M+Na]+ 347.00018 180.9
[M-H]- 323.00368 176.1
[M+NH4]+ 342.04478 184.2
[M+K]+ 362.97412 169.1
[M+H-H2O]+ 307.00822 167.6
[M+HCOO]- 369.00916 185.6
[M+CH3COO]- 383.02481 207.3
[M+Na-2H]- 344.98563 171.8
[M]+ 324.01041 189.0
[M]- 324.01151 189.0
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.