CID 15959208

Chembl437689

Structural Information

Molecular Formula
C22H20ClN3O2
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)NC4=CC=CC=C4C#N
InChI
InChI=1S/C22H20ClN3O2/c1-2-3-10-21-13-22(21,19(27)25-17-7-5-4-6-14(17)12-24)20(28)26-18-9-8-15(23)11-16(18)21/h4-9,11H,2-3,10,13H2,1H3,(H,25,27)(H,26,28)
InChIKey
LVEWYULKUZDWJP-UHFFFAOYSA-N
Compound name
7b-butyl-6-chloro-N-(2-cyanophenyl)-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.1244 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13168 192.9
[M+Na]+ 416.11362 210.0
[M-H]- 392.11712 199.0
[M+NH4]+ 411.15822 204.6
[M+K]+ 432.08756 196.2
[M+H-H2O]+ 376.12166 183.3
[M+HCOO]- 438.12260 203.7
[M+CH3COO]- 452.13825 202.0
[M+Na-2H]- 414.09907 198.2
[M]+ 393.12385 194.0
[M]- 393.12495 194.0
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.