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]+ 263.10265 156.7
[M+Na]+ 285.08459 165.2
[M-H]- 261.08809 160.7
[M+NH4]+ 280.12919 173.2
[M+K]+ 301.05853 163.0
[M+H-H2O]+ 245.09263 151.0
[M+HCOO]- 307.09357 172.1
[M+CH3COO]- 321.10922 168.3
[M+Na-2H]- 283.07004 159.5
[M]+ 262.09482 156.1
[M]- 262.09592 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.