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-chloropyridin-3-yl)methyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
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]+ 226.03778 146.2
[M+Na]+ 248.01972 159.1
[M+NH4]+ 243.06432 152.9
[M+K]+ 263.99366 154.9
[M-H]- 224.02322 146.7
[M+Na-2H]- 246.00517 151.7
[M]+ 225.02995 148.1
[M]- 225.03105 148.1
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.