CID 15959185

Chembl377895

Structural Information

Molecular Formula
C16H16ClNO3
SMILES
CCOC(=O)C12CC1(C3=C(C=CC(=C3)Cl)NC2=O)C4CC4
InChI
InChI=1S/C16H16ClNO3/c1-2-21-14(20)16-8-15(16,9-3-4-9)11-7-10(17)5-6-12(11)18-13(16)19/h5-7,9H,2-4,8H2,1H3,(H,18,19)
InChIKey
KTUQAHRDGZXTES-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-7b-cyclopropyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.08188 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08916 179.9
[M+Na]+ 328.07110 188.7
[M-H]- 304.07460 185.1
[M+NH4]+ 323.11570 188.0
[M+K]+ 344.04504 185.5
[M+H-H2O]+ 288.07914 175.6
[M+HCOO]- 350.08008 188.4
[M+CH3COO]- 364.09573 187.7
[M+Na-2H]- 326.05655 182.4
[M]+ 305.08133 186.1
[M]- 305.08243 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.