CID 167720823

3,6-dimethyl 1-methyl-2-oxo-2,3-dihydro-1h-indole-3,6-dicarboxylate

Structural Information

Molecular Formula
C13H13NO5
SMILES
CN1C2=C(C=CC(=C2)C(=O)OC)C(C1=O)C(=O)OC
InChI
InChI=1S/C13H13NO5/c1-14-9-6-7(12(16)18-2)4-5-8(9)10(11(14)15)13(17)19-3/h4-6,10H,1-3H3
InChIKey
UEYMUPHXLUCPLJ-UHFFFAOYSA-N
Compound name
dimethyl 1-methyl-2-oxo-3H-indole-3,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08666 154.6
[M+Na]+ 286.06860 164.1
[M-H]- 262.07210 158.6
[M+NH4]+ 281.11320 173.2
[M+K]+ 302.04254 162.9
[M+H-H2O]+ 246.07664 148.7
[M+HCOO]- 308.07758 175.3
[M+CH3COO]- 322.09323 196.8
[M+Na-2H]- 284.05405 155.8
[M]+ 263.07883 159.8
[M]- 263.07993 159.8
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.