CID 15959178

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

Structural Information

Molecular Formula

C₁₇H₁₈ClNO₃

SMILES

CCOC(=O)C12CC1(C3=C(C=CC(=C3)Cl)NC2=O)CCC=C

InChI

InChI=1S/C17H18ClNO3/c1-3-5-8-16-10-17(16,15(21)22-4-2)14(20)19-13-7-6-11(18)9-12(13)16/h3,6-7,9H,1,4-5,8,10H2,2H3,(H,19,20)

InChIKey

UKSJHUICPZMJAI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 319.09753 Da
Monoisotopic Mass: 3.6
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]+	320.104806	175.1
[M+Na]+	342.086748	186.1
[M-H]-	318.090254	178.2
[M+NH4]+	337.131353	189.7
[M+K]+	358.060688	179.9
[M+H-H2O]+	302.094790	170.3
[M+HCOO]-	364.095731	186.0
[M+CH3COO]-	378.111381	206.2
[M+Na-2H]-	340.072196	179.9
[M]+	319.09698142	181.6
[M]-	319.09807858	181.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.