CID 45267595

Chembl560476

Structural Information

Molecular Formula

C₁₇H₁₉N₃O₂

SMILES

C1CCC(CC1)/C=N/NC2=C3C=C4C(=CC3=NC=C2)OCO4

InChI

InChI=1S/C17H19N3O2/c1-2-4-12(5-3-1)10-19-20-14-6-7-18-15-9-17-16(8-13(14)15)21-11-22-17/h6-10,12H,1-5,11H2,(H,18,20)/b19-10+

InChIKey

YLWRFMUFFYWKQC-VXLYETTFSA-N

Compound name

N-[(E)-cyclohexylmethylideneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 297.14774 Da
Monoisotopic Mass: 4.0
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]+	298.155016	165.1
[M+Na]+	320.136958	170.1
[M-H]-	296.140464	173.5
[M+NH4]+	315.181563	179.6
[M+K]+	336.110898	167.9
[M+H-H2O]+	280.145000	156.0
[M+HCOO]-	342.145941	183.9
[M+CH3COO]-	356.161591	175.9
[M+Na-2H]-	318.122406	172.0
[M]+	297.14719142	162.8
[M]-	297.14828858	162.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.