CID 97125

5-(3,4-dimethoxyphenyl)hydantoin

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₄

SMILES

COC1=C(C=C(C=C1)C2C(=O)NC(=O)N2)OC

InChI

InChI=1S/C11H12N2O4/c1-16-7-4-3-6(5-8(7)17-2)9-10(14)13-11(15)12-9/h3-5,9H,1-2H3,(H2,12,13,14,15)

InChIKey

DAQRVONEYVCTSF-UHFFFAOYSA-N

Compound name

5-(3,4-dimethoxyphenyl)imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 236.07971 Da
Monoisotopic Mass: 0.4
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]+	237.086986	150.1
[M+Na]+	259.068928	158.9
[M-H]-	235.072434	152.2
[M+NH4]+	254.113533	165.8
[M+K]+	275.042868	155.3
[M+H-H2O]+	219.076970	142.9
[M+HCOO]-	281.077911	168.9
[M+CH3COO]-	295.093561	185.4
[M+Na-2H]-	257.054376	151.6
[M]+	236.07916142	149.3
[M]-	236.08025858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe