CID 3038709

Brn 0848212

Structural Information

Molecular Formula

C₁₆H₁₉N₃O₄

SMILES

CN1CCC2=CC(=C(C3=C2C1CCC34C(=O)NC(=O)N4)O)OC

InChI

InChI=1S/C16H19N3O4/c1-19-6-4-8-7-10(23-2)13(20)12-11(8)9(19)3-5-16(12)14(21)17-15(22)18-16/h7,9,20H,3-6H2,1-2H3,(H2,17,18,21,22)

InChIKey

FLHQUXGYMHGRQN-UHFFFAOYSA-N

Compound name

6-hydroxy-5-methoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-2',4'-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 317.13754 Da
Monoisotopic Mass: 0.5
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]+	318.144816	175.8
[M+Na]+	340.126758	183.9
[M-H]-	316.130264	174.6
[M+NH4]+	335.171363	190.9
[M+K]+	356.100698	177.9
[M+H-H2O]+	300.134800	168.2
[M+HCOO]-	362.135741	183.4
[M+CH3COO]-	376.151391	184.0
[M+Na-2H]-	338.112206	176.7
[M]+	317.13699142	171.3
[M]-	317.13808858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.