CID 3038708

41829-16-7

Structural Information

Molecular Formula

C₁₇H₂₁N₃O₄

SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-20-7-5-9-8-11(23-2)14(24-3)13-12(9)10(20)4-6-17(13)15(21)18-16(22)19-17/h8,10H,4-7H2,1-3H3,(H2,18,19,21,22)

InChIKey

HQNNVXBWFNRCJC-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-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: 331.1532 Da
Monoisotopic Mass: 0.8
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]+	332.160476	179.5
[M+Na]+	354.142418	187.5
[M-H]-	330.145924	179.4
[M+NH4]+	349.187023	194.6
[M+K]+	370.116358	182.1
[M+H-H2O]+	314.150460	171.3
[M+HCOO]-	376.151401	188.2
[M+CH3COO]-	390.167051	187.9
[M+Na-2H]-	352.127866	180.3
[M]+	331.15265142	177.0
[M]-	331.15374858	177.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.