CID 2466739

1-(1-adamantyl)imidazolidine-2,4,5-trione

Structural Information

Molecular Formula
C13H16N2O3
SMILES
C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=O)NC4=O
InChI
InChI=1S/C13H16N2O3/c16-10-11(17)15(12(18)14-10)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H,14,16,18)
InChIKey
HSAMZIXLIWFURG-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)imidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 152.8
[M+Na]+ 271.10531 156.8
[M-H]- 247.10881 147.6
[M+NH4]+ 266.14991 175.4
[M+K]+ 287.07925 152.5
[M+H-H2O]+ 231.11335 145.8
[M+HCOO]- 293.11429 156.3
[M+CH3COO]- 307.12994 160.8
[M+Na-2H]- 269.09076 159.3
[M]+ 248.11554 151.0
[M]- 248.11664 151.0
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

No patent data available for this compound.