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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.105146	166.6
[M+Na]+	315.087088	177.5
[M-H]-	291.090594	169.4
[M+NH4]+	310.131693	181.8
[M+K]+	331.061028	171.3
[M+H-H2O]+	275.095130	162.3
[M+HCOO]-	337.096071	178.3
[M+CH3COO]-	351.111721	204.2
[M+Na-2H]-	313.072536	172.0
[M]+	292.09732142	170.4
[M]-	292.09841858	170.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.