CID 3052152

68524-16-3

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CCCOC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C
InChI
InChI=1S/C13H16N2O3/c1-3-8-18-10-6-4-9(5-7-10)13(2)11(16)14-12(17)15-13/h4-7H,3,8H2,1-2H3,(H2,14,15,16,17)
InChIKey
ZCCYEJDBQVMJEC-UHFFFAOYSA-N
Compound name
5-methyl-5-(4-propoxyphenyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

248.11609 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 155.5
[M+Na]+ 271.10531 163.7
[M-H]- 247.10881 157.2
[M+NH4]+ 266.14991 172.6
[M+K]+ 287.07925 159.3
[M+H-H2O]+ 231.11335 148.6
[M+HCOO]- 293.11429 173.6
[M+CH3COO]- 307.12994 187.5
[M+Na-2H]- 269.09076 157.9
[M]+ 248.11554 153.9
[M]- 248.11664 153.9
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

patents stripe