CID 3044362

Brn 5344816

Structural Information

Molecular Formula
C13H10N2O3
SMILES
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C#N
InChI
InChI=1S/C13H10N2O3/c1-2-15-6-8(5-14)13(16)9-3-11-12(4-10(9)15)18-7-17-11/h3-4,6H,2,7H2,1H3
InChIKey
OGNJFHAIQLFVMT-UHFFFAOYSA-N
Compound name
5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.06914 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 149.5
[M+Na]+ 265.05836 163.3
[M-H]- 241.06186 154.0
[M+NH4]+ 260.10296 165.6
[M+K]+ 281.03230 158.8
[M+H-H2O]+ 225.06640 136.5
[M+HCOO]- 287.06734 165.9
[M+CH3COO]- 301.08299 161.8
[M+Na-2H]- 263.04381 156.0
[M]+ 242.06859 148.8
[M]- 242.06969 148.8
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.