CID 392213

Nsc692346

Structural Information

Molecular Formula
C18H12N2O2
SMILES
C1=CC=C2C(=C1)C=CN2C(=O)C(=O)N3C=CC4=CC=CC=C43
InChI
InChI=1S/C18H12N2O2/c21-17(19-11-9-13-5-1-3-7-15(13)19)18(22)20-12-10-14-6-2-4-8-16(14)20/h1-12H
InChIKey
GAQCZJAXPBXJDJ-UHFFFAOYSA-N
Compound name
1,2-di(indol-1-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.08987 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09715 165.9
[M+Na]+ 311.07909 177.0
[M-H]- 287.08259 173.6
[M+NH4]+ 306.12369 184.4
[M+K]+ 327.05303 171.8
[M+H-H2O]+ 271.08713 157.9
[M+HCOO]- 333.08807 189.1
[M+CH3COO]- 347.10372 179.0
[M+Na-2H]- 309.06454 170.0
[M]+ 288.08932 170.2
[M]- 288.09042 170.2
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.