CID 378607

129697-28-5

Structural Information

Molecular Formula
C18H14N2O2
SMILES
C1CN(C2=CC=CC=C21)C(=O)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H14N2O2/c21-17(14-11-19-15-7-3-2-6-13(14)15)18(22)20-10-9-12-5-1-4-8-16(12)20/h1-8,11,19H,9-10H2
InChIKey
CFUYGGPBOBIHRG-UHFFFAOYSA-N
Compound name
1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.10553 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 166.8
[M+Na]+ 313.09475 175.2
[M-H]- 289.09825 172.2
[M+NH4]+ 308.13935 184.1
[M+K]+ 329.06869 169.5
[M+H-H2O]+ 273.10279 159.0
[M+HCOO]- 335.10373 185.6
[M+CH3COO]- 349.11938 178.1
[M+Na-2H]- 311.08020 168.6
[M]+ 290.10498 166.6
[M]- 290.10608 166.6
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.