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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08916 167.6
[M+Na]+ 316.07110 179.2
[M-H]- 292.07460 171.0
[M+NH4]+ 311.11570 183.3
[M+K]+ 332.04504 174.0
[M+H-H2O]+ 276.07914 163.1
[M+HCOO]- 338.08008 179.0
[M+CH3COO]- 352.09573 201.3
[M+Na-2H]- 314.05655 173.4
[M]+ 293.08133 174.1
[M]- 293.08243 174.1
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.