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]+ 205.06078 140.0
[M+Na]+ 227.04272 150.5
[M-H]- 203.04622 143.8
[M+NH4]+ 222.08732 160.5
[M+K]+ 243.01666 147.7
[M+H-H2O]+ 187.05076 134.3
[M+HCOO]- 249.05170 162.7
[M+CH3COO]- 263.06735 188.3
[M+Na-2H]- 225.02817 143.0
[M]+ 204.05295 140.3
[M]- 204.05405 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.