CID 15959202

Chembl213550

Structural Information

Molecular Formula

C₁₉H₂₂ClNO₂

SMILES

CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)CC4CC4

InChI

InChI=1S/C19H22ClNO2/c1-2-3-8-18-11-19(18,16(22)9-12-4-5-12)17(23)21-15-7-6-13(20)10-14(15)18/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,21,23)

InChIKey

GLRSTYUPPYHLCG-UHFFFAOYSA-N

Compound name

7b-butyl-6-chloro-1a-(2-cyclopropylacetyl)-1,3-dihydrocyclopropa[c]quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 331.1339 Da
Monoisotopic Mass: 4.6
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]+	332.141176	186.2
[M+Na]+	354.123118	193.9
[M-H]-	330.126624	190.8
[M+NH4]+	349.167723	193.3
[M+K]+	370.097058	189.9
[M+H-H2O]+	314.131160	181.4
[M+HCOO]-	376.132101	193.8
[M+CH3COO]-	390.147751	193.1
[M+Na-2H]-	352.108566	187.3
[M]+	331.13335142	191.9
[M]-	331.13444858	191.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.