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]+ 281.12848 159.0
[M+Na]+ 303.11042 163.8
[M-H]- 279.11392 156.3
[M+NH4]+ 298.15502 178.1
[M+K]+ 319.08436 158.8
[M+H-H2O]+ 263.11846 151.6
[M+HCOO]- 325.11940 167.8
[M+CH3COO]- 339.13505 167.7
[M+Na-2H]- 301.09587 167.0
[M]+ 280.12065 160.4
[M]- 280.12175 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.