CID 16770287

5-[2-(2h-1,3-benzodioxol-5-yl)ethyl]-5-methylimidazolidine-2,4-dione

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CC1(C(=O)NC(=O)N1)CCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C13H14N2O4/c1-13(11(16)14-12(17)15-13)5-4-8-2-3-9-10(6-8)19-7-18-9/h2-3,6H,4-5,7H2,1H3,(H2,14,15,16,17)
InChIKey
QMLBSYGGFAJKGH-UHFFFAOYSA-N
Compound name
5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.102646 156.7
[M+Na]+ 285.084588 165.2
[M-H]- 261.088094 160.7
[M+NH4]+ 280.129193 173.2
[M+K]+ 301.058528 163.0
[M+H-H2O]+ 245.092630 151.0
[M+HCOO]- 307.093571 172.1
[M+CH3COO]- 321.109221 168.3
[M+Na-2H]- 283.070036 159.5
[M]+ 262.09482142 156.1
[M]- 262.09591858 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.