CID 15959182

Chembl377039

Structural Information

Molecular Formula
C17H20ClNO3
SMILES
CCOC(=O)C12CC1(C3=C(C=CC(=C3)Cl)NC2=O)CC(C)C
InChI
InChI=1S/C17H20ClNO3/c1-4-22-15(21)17-9-16(17,8-10(2)3)12-7-11(18)5-6-13(12)19-14(17)20/h5-7,10H,4,8-9H2,1-3H3,(H,19,20)
InChIKey
HSZDTRUARSJOQV-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-7b-(2-methylpropyl)-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.11316 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12044 174.7
[M+Na]+ 344.10238 185.1
[M-H]- 320.10588 177.7
[M+NH4]+ 339.14698 189.2
[M+K]+ 360.07632 179.9
[M+H-H2O]+ 304.11042 170.2
[M+HCOO]- 366.11136 184.5
[M+CH3COO]- 380.12701 207.8
[M+Na-2H]- 342.08783 178.5
[M]+ 321.11261 181.3
[M]- 321.11371 181.3
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.