CID 20114087

Ntn33893-5-keto-urea

Structural Information

Molecular Formula
C9H8ClN3O2
SMILES
C1C(=O)N(C(=O)N1)CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C9H8ClN3O2/c10-7-2-1-6(3-11-7)5-13-8(14)4-12-9(13)15/h1-3H,4-5H2,(H,12,15)
InChIKey
VXYNUHQXABWUTN-UHFFFAOYSA-N
Compound name
3-[(6-chloropyridin-3-yl)methyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

225.0305 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03778 146.4
[M+Na]+ 248.01972 156.5
[M-H]- 224.02322 148.0
[M+NH4]+ 243.06432 162.5
[M+K]+ 263.99366 151.3
[M+H-H2O]+ 208.02776 138.5
[M+HCOO]- 270.02870 160.9
[M+CH3COO]- 284.04435 182.9
[M+Na-2H]- 246.00517 149.1
[M]+ 225.02995 145.7
[M]- 225.03105 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.