CID 15956428

Chembl208380

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CCOC(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)N)NC2=O
InChI
InChI=1S/C13H14N2O3/c1-2-18-11(16)9-6-13(9)8-5-7(14)3-4-10(8)15-12(13)17/h3-5,9H,2,6,14H2,1H3,(H,15,17)/t9-,13-/m1/s1
InChIKey
VMAMPFXEAFAISM-NOZJJQNGSA-N
Compound name
ethyl (1'S,3S)-5-amino-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.10045 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 155.6
[M+Na]+ 269.08967 166.6
[M-H]- 245.09317 160.5
[M+NH4]+ 264.13427 171.1
[M+K]+ 285.06361 161.3
[M+H-H2O]+ 229.09771 150.5
[M+HCOO]- 291.09865 175.1
[M+CH3COO]- 305.11430 195.1
[M+Na-2H]- 267.07512 159.1
[M]+ 246.09990 157.8
[M]- 246.10100 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.