CID 15959192

Chembl213512

Structural Information

Molecular Formula
C18H20ClNO3
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)OCC=C
InChI
InChI=1S/C18H20ClNO3/c1-3-5-8-17-11-18(17,16(22)23-9-4-2)15(21)20-14-7-6-12(19)10-13(14)17/h4,6-7,10H,2-3,5,8-9,11H2,1H3,(H,20,21)
InChIKey
GDWBTGAQPZLOCD-UHFFFAOYSA-N
Compound name
prop-2-enyl 7b-butyl-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

333.11316 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12044 179.2
[M+Na]+ 356.10238 189.8
[M-H]- 332.10588 182.0
[M+NH4]+ 351.14698 193.3
[M+K]+ 372.07632 183.3
[M+H-H2O]+ 316.11042 174.2
[M+HCOO]- 378.11136 189.8
[M+CH3COO]- 392.12701 209.0
[M+Na-2H]- 354.08783 183.5
[M]+ 333.11261 186.0
[M]- 333.11371 186.0
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.