CID 11630144

Chembl379727

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CCCCN1C2=C(C=C(C=C2)C(=O)N)C(=O)C1=O
InChI
InChI=1S/C13H14N2O3/c1-2-3-6-15-10-5-4-8(12(14)17)7-9(10)11(16)13(15)18/h4-5,7H,2-3,6H2,1H3,(H2,14,17)
InChIKey
HRVIHQDVDQVYBE-UHFFFAOYSA-N
Compound name
1-butyl-2,3-dioxoindole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 154.0
[M+Na]+ 269.089668 163.2
[M-H]- 245.093174 157.3
[M+NH4]+ 264.134273 172.8
[M+K]+ 285.063608 159.7
[M+H-H2O]+ 229.097710 147.7
[M+HCOO]- 291.098651 175.7
[M+CH3COO]- 305.114301 197.3
[M+Na-2H]- 267.075116 155.4
[M]+ 246.09990142 155.4
[M]- 246.10099858 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.