CID 15959194

Chembl426512

Structural Information

Molecular Formula
C20H24ClNO3
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)OCC=C(C)C
InChI
InChI=1S/C20H24ClNO3/c1-4-5-9-19-12-20(19,18(24)25-10-8-13(2)3)17(23)22-16-7-6-14(21)11-15(16)19/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,22,23)
InChIKey
JUINEQCYLQNDPS-UHFFFAOYSA-N
Compound name
3-methylbut-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

361.14447 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15175 186.5
[M+Na]+ 384.13369 195.9
[M-H]- 360.13719 189.0
[M+NH4]+ 379.17829 199.4
[M+K]+ 400.10763 189.6
[M+H-H2O]+ 344.14173 181.6
[M+HCOO]- 406.14267 195.5
[M+CH3COO]- 420.15832 214.9
[M+Na-2H]- 382.11914 188.8
[M]+ 361.14392 193.3
[M]- 361.14502 193.3
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.