CID 122226815

Ntn33893-4-keto-urea

Structural Information

Molecular Formula
C9H8ClN3O2
SMILES
C1C(=O)NC(=O)N1CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C9H8ClN3O2/c10-7-2-1-6(3-11-7)4-13-5-8(14)12-9(13)15/h1-3H,4-5H2,(H,12,14,15)
InChIKey
QIDUXKAQZLOGDF-UHFFFAOYSA-N
Compound name
1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

225.0305 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.037776 146.4
[M+Na]+ 248.019718 156.5
[M-H]- 224.023224 148.0
[M+NH4]+ 243.064323 162.5
[M+K]+ 263.993658 151.3
[M+H-H2O]+ 208.027760 138.5
[M+HCOO]- 270.028701 160.9
[M+CH3COO]- 284.044351 182.9
[M+Na-2H]- 246.005166 149.1
[M]+ 225.02995142 145.7
[M]- 225.03104858 145.7
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.