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 154.9
[M+Na]+ 282.07369 165.7
[M-H]- 258.07719 161.1
[M+NH4]+ 277.11829 172.1
[M+K]+ 298.04763 164.7
[M+H-H2O]+ 242.08173 148.8
[M+HCOO]- 304.08267 173.7
[M+CH3COO]- 318.09832 197.1
[M+Na-2H]- 280.05914 160.4
[M]+ 259.08392 160.5
[M]- 259.08502 160.5
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