CID 515954

Chembl148483

Structural Information

Molecular Formula
C10H8N2O3
SMILES
CN1C2=C(C=C(C=C2)C(=O)N)C(=O)C1=O
InChI
InChI=1S/C10H8N2O3/c1-12-7-3-2-5(9(11)14)4-6(7)8(13)10(12)15/h2-4H,1H3,(H2,11,14)
InChIKey
QUFAZQGZSQBRME-UHFFFAOYSA-N
Compound name
1-methyl-2,3-dioxoindole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

204.0535 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.060776 140.0
[M+Na]+ 227.042718 150.5
[M-H]- 203.046224 143.8
[M+NH4]+ 222.087323 160.5
[M+K]+ 243.016658 147.7
[M+H-H2O]+ 187.050760 134.3
[M+HCOO]- 249.051701 162.7
[M+CH3COO]- 263.067351 188.3
[M+Na-2H]- 225.028166 143.0
[M]+ 204.05295142 140.3
[M]- 204.05404858 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.