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 156.9
[M+Na]+ 286.06860 167.3
[M+NH4]+ 281.11320 162.6
[M+K]+ 302.04254 165.4
[M-H]- 262.07210 155.8
[M+Na-2H]- 284.05405 158.6
[M]+ 263.07883 157.6
[M]- 263.07993 157.6
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.