CID 15959213

Chembl209499

Structural Information

Molecular Formula
C20H20ClN3O2
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)NC4=CC=NC=C4
InChI
InChI=1S/C20H20ClN3O2/c1-2-3-8-19-12-20(19,17(25)23-14-6-9-22-10-7-14)18(26)24-16-5-4-13(21)11-15(16)19/h4-7,9-11H,2-3,8,12H2,1H3,(H,24,26)(H,22,23,25)
InChIKey
LLFBNTRGWWURRB-UHFFFAOYSA-N
Compound name
7b-butyl-6-chloro-2-oxo-N-pyridin-4-yl-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.1244 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13168 189.0
[M+Na]+ 392.11362 198.9
[M-H]- 368.11712 193.2
[M+NH4]+ 387.15822 199.5
[M+K]+ 408.08756 191.9
[M+H-H2O]+ 352.12166 181.3
[M+HCOO]- 414.12260 200.0
[M+CH3COO]- 428.13825 197.5
[M+Na-2H]- 390.09907 194.7
[M]+ 369.12385 193.1
[M]- 369.12495 193.1
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.