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]+ 246.07608 152.3
[M+Na]+ 268.05802 160.5
[M-H]- 244.06152 154.7
[M+NH4]+ 263.10262 170.2
[M+K]+ 284.03196 157.8
[M+H-H2O]+ 228.06606 145.9
[M+HCOO]- 290.06700 173.3
[M+CH3COO]- 304.08265 189.3
[M+Na-2H]- 266.04347 155.4
[M]+ 245.06825 155.3
[M]- 245.06935 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.