CID 15959175

Chembl213242

Structural Information

Molecular Formula
C14H14ClNO3
SMILES
CCOC(=O)C12CC1(C3=C(C=CC(=C3)Cl)NC2=O)C
InChI
InChI=1S/C14H14ClNO3/c1-3-19-12(18)14-7-13(14,2)9-6-8(15)4-5-10(9)16-11(14)17/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKey
POGSINAVXAORJZ-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-7b-methyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

279.06622 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07350 163.5
[M+Na]+ 302.05544 175.5
[M-H]- 278.05894 167.1
[M+NH4]+ 297.10004 179.7
[M+K]+ 318.02938 170.4
[M+H-H2O]+ 262.06348 159.1
[M+HCOO]- 324.06442 175.2
[M+CH3COO]- 338.08007 198.5
[M+Na-2H]- 300.04089 169.7
[M]+ 279.06567 169.6
[M]- 279.06677 169.6
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

patents stripe