CID 363557

Nsc628521

Structural Information

Molecular Formula
C17H16N2O2
SMILES
C1CC2C=CC1CN2C(=O)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C17H16N2O2/c20-16(14-9-18-15-4-2-1-3-13(14)15)17(21)19-10-11-5-7-12(19)8-6-11/h1-5,7,9,11-12,18H,6,8,10H2
InChIKey
YSWCRYWHOQSZSU-UHFFFAOYSA-N
Compound name
1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 159.0
[M+Na]+ 303.110418 163.8
[M-H]- 279.113924 156.3
[M+NH4]+ 298.155023 178.1
[M+K]+ 319.084358 158.8
[M+H-H2O]+ 263.118460 151.6
[M+HCOO]- 325.119401 167.8
[M+CH3COO]- 339.135051 167.7
[M+Na-2H]- 301.095866 167.0
[M]+ 280.12065142 160.4
[M]- 280.12174858 160.4
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.