CID 15959189

Chembl212622

Structural Information

Molecular Formula
C15H15ClN2O
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C#N
InChI
InChI=1S/C15H15ClN2O/c1-2-3-6-14-8-15(14,9-17)13(19)18-12-5-4-10(16)7-11(12)14/h4-5,7H,2-3,6,8H2,1H3,(H,18,19)
InChIKey
RLPQCZRRUVMDKL-UHFFFAOYSA-N
Compound name
7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.08728 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09456 161.4
[M+Na]+ 297.07650 180.1
[M-H]- 273.08000 166.3
[M+NH4]+ 292.12110 178.2
[M+K]+ 313.05044 167.8
[M+H-H2O]+ 257.08454 153.4
[M+HCOO]- 319.08548 173.0
[M+CH3COO]- 333.10113 173.2
[M+Na-2H]- 295.06195 169.4
[M]+ 274.08673 162.8
[M]- 274.08783 162.8
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.