CID 36943

34841-20-8

Structural Information

Molecular Formula
C14H13NO4
SMILES
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)C
InChI
InChI=1S/C14H13NO4/c1-3-15-6-10(8(2)16)14(17)9-4-12-13(5-11(9)15)19-7-18-12/h4-6H,3,7H2,1-2H3
InChIKey
KOHITSRPJYWLST-UHFFFAOYSA-N
Compound name
7-acetyl-5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.08447 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 154.8
[M+Na]+ 282.07369 168.7
[M+NH4]+ 277.11829 162.5
[M+K]+ 298.04763 165.3
[M-H]- 258.07719 158.7
[M+Na-2H]- 280.05914 157.6
[M]+ 259.08392 157.9
[M]- 259.08502 157.9
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

patents stripe