CID 15959197

Chembl211780

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C15H17ClN2O2/c1-2-3-6-14-8-15(14,12(17)19)13(20)18-11-5-4-9(16)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3,(H2,17,19)(H,18,20)
InChIKey
XGIVVAMNUVRXLF-UHFFFAOYSA-N
Compound name
7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.09787 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10515 166.6
[M+Na]+ 315.08709 177.5
[M-H]- 291.09059 169.4
[M+NH4]+ 310.13169 181.8
[M+K]+ 331.06103 171.3
[M+H-H2O]+ 275.09513 162.3
[M+HCOO]- 337.09607 178.3
[M+CH3COO]- 351.11172 204.2
[M+Na-2H]- 313.07254 172.0
[M]+ 292.09732 170.4
[M]- 292.09842 170.4
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.