CID 254696

6-amino-5-(2-chloroacetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C6H6ClN3O3
SMILES
C(C(=O)C1=C(NC(=O)NC1=O)N)Cl
InChI
InChI=1S/C6H6ClN3O3/c7-1-2(11)3-4(8)9-6(13)10-5(3)12/h1H2,(H4,8,9,10,12,13)
InChIKey
MKPYZDPKJIIYNG-UHFFFAOYSA-N
Compound name
6-amino-5-(2-chloroacetyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.00977 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.01705 136.4
[M+Na]+ 225.99899 147.3
[M-H]- 202.00249 135.2
[M+NH4]+ 221.04359 152.1
[M+K]+ 241.97293 142.0
[M+H-H2O]+ 186.00703 130.9
[M+HCOO]- 248.00797 152.4
[M+CH3COO]- 262.02362 179.2
[M+Na-2H]- 223.98444 140.6
[M]+ 203.00922 135.3
[M]- 203.01032 135.3
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.