CID 9570289

Aminodantrolene

Structural Information

Molecular Formula

C₁₄H₁₂N₄O₃

SMILES

C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)N

InChI

InChI=1S/C14H12N4O3/c15-10-3-1-9(2-4-10)12-6-5-11(21-12)7-16-18-8-13(19)17-14(18)20/h1-7H,8,15H2,(H,17,19,20)/b16-7+

InChIKey

UXUTWFLSENWVIM-FRKPEAEDSA-N

Compound name

1-[(E)-[5-(4-aminophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 17
Patents: 284.09094 Da
Monoisotopic Mass: 1.2
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]+	285.098216	162.3
[M+Na]+	307.080158	170.4
[M-H]-	283.083664	170.8
[M+NH4]+	302.124763	176.5
[M+K]+	323.054098	166.9
[M+H-H2O]+	267.088200	153.7
[M+HCOO]-	329.089141	185.8
[M+CH3COO]-	343.104791	201.7
[M+Na-2H]-	305.065606	163.5
[M]+	284.09039142	160.6
[M]-	284.09148858	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe