CID 2970127

Methyl 4-(1h-indol-3-yl)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C13H11NO4
SMILES
COC(=O)C(=O)CC(=O)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H11NO4/c1-18-13(17)12(16)6-11(15)9-7-14-10-5-3-2-4-8(9)10/h2-5,7,14H,6H2,1H3
InChIKey
JZRSMIJNQIYQJJ-UHFFFAOYSA-N
Compound name
methyl 4-(1H-indol-3-yl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0688 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.076076 152.3
[M+Na]+ 268.058018 160.5
[M-H]- 244.061524 154.7
[M+NH4]+ 263.102623 170.2
[M+K]+ 284.031958 157.8
[M+H-H2O]+ 228.066060 145.9
[M+HCOO]- 290.067001 173.3
[M+CH3COO]- 304.082651 189.3
[M+Na-2H]- 266.043466 155.4
[M]+ 245.06825142 155.3
[M]- 245.06934858 155.3
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.