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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10481 175.1
[M+Na]+ 342.08675 186.1
[M-H]- 318.09025 178.2
[M+NH4]+ 337.13135 189.7
[M+K]+ 358.06069 179.9
[M+H-H2O]+ 302.09479 170.3
[M+HCOO]- 364.09573 186.0
[M+CH3COO]- 378.11138 206.2
[M+Na-2H]- 340.07220 179.9
[M]+ 319.09698 181.6
[M]- 319.09808 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.