CID 378606

Nsc661246

Structural Information

Molecular Formula
C18H12N2O2
SMILES
C1=CC=C2C(=C1)C=CN2C(=O)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H12N2O2/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/h1-11,19H
InChIKey
JGNTXIBLSQHKDW-UHFFFAOYSA-N
Compound name
1-indol-1-yl-2-(1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.08987 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09715 165.3
[M+Na]+ 311.07909 175.7
[M-H]- 287.08259 171.5
[M+NH4]+ 306.12369 182.8
[M+K]+ 327.05303 169.7
[M+H-H2O]+ 271.08713 157.6
[M+HCOO]- 333.08807 186.9
[M+CH3COO]- 347.10372 177.6
[M+Na-2H]- 309.06454 169.0
[M]+ 288.08932 167.9
[M]- 288.09042 167.9
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.