CID 16077502

Chembl232207

Structural Information

Molecular Formula
C13H13NO4
SMILES
CC1=C(C(=O)C2=C(C1=O)C(=CN2C)C(=O)OC)C
InChI
InChI=1S/C13H13NO4/c1-6-7(2)12(16)10-9(11(6)15)8(5-14(10)3)13(17)18-4/h5H,1-4H3
InChIKey
ZTYQONQYDYQELD-UHFFFAOYSA-N
Compound name
methyl 1,5,6-trimethyl-4,7-dioxoindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.08446 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 150.2
[M+Na]+ 270.07368 162.0
[M-H]- 246.07718 154.9
[M+NH4]+ 265.11828 170.3
[M+K]+ 286.04762 159.6
[M+H-H2O]+ 230.08172 145.0
[M+HCOO]- 292.08266 171.7
[M+CH3COO]- 306.09831 197.0
[M+Na-2H]- 268.05913 151.2
[M]+ 247.08391 155.6
[M]- 247.08501 155.6
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.