CID 10379665

Chembl211855

Structural Information

Molecular Formula

C₁₅H₁₆ClNO₃

SMILES

CCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C15H16ClNO3/c1-3-14-8-15(14,13(19)20-4-2)12(18)17-11-6-5-9(16)7-10(11)14/h5-7H,3-4,8H2,1-2H3,(H,17,18)

InChIKey

WZWRLQVVSBRWAX-UHFFFAOYSA-N

Compound name

ethyl 6-chloro-7b-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 293.08188 Da
Monoisotopic Mass: 3.0
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]+	294.089156	167.6
[M+Na]+	316.071098	179.2
[M-H]-	292.074604	171.0
[M+NH4]+	311.115703	183.3
[M+K]+	332.045038	174.0
[M+H-H2O]+	276.079140	163.1
[M+HCOO]-	338.080081	179.0
[M+CH3COO]-	352.095731	201.3
[M+Na-2H]-	314.056546	173.4
[M]+	293.08133142	174.1
[M]-	293.08242858	174.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.