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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.091746	154.9
[M+Na]+	282.073688	165.7
[M-H]-	258.077194	161.1
[M+NH4]+	277.118293	172.1
[M+K]+	298.047628	164.7
[M+H-H2O]+	242.081730	148.8
[M+HCOO]-	304.082671	173.7
[M+CH3COO]-	318.098321	197.1
[M+Na-2H]-	280.059136	160.4
[M]+	259.08392142	160.5
[M]-	259.08501858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe