CID 3295133

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione

Structural Information

Molecular Formula
C12H12N2O4
SMILES
CC1(C(=O)NC(=O)N1)C2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C12H12N2O4/c1-12(10(15)13-11(16)14-12)7-2-3-8-9(6-7)18-5-4-17-8/h2-3,6H,4-5H2,1H3,(H2,13,14,15,16)
InChIKey
YPNDMRZCZYOGIW-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

248.07971 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.086986 153.2
[M+Na]+ 271.068928 161.5
[M-H]- 247.072434 156.9
[M+NH4]+ 266.113533 168.3
[M+K]+ 287.042868 159.3
[M+H-H2O]+ 231.076970 146.4
[M+HCOO]- 293.077911 166.7
[M+CH3COO]- 307.093561 164.4
[M+Na-2H]- 269.054376 158.1
[M]+ 248.07916142 150.1
[M]- 248.08025858 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe