CID 254701

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

Structural Information

Molecular Formula
C8H10ClN3O3
SMILES
CN1C(=C(C(=O)N(C1=O)C)C(=O)CCl)N
InChI
InChI=1S/C8H10ClN3O3/c1-11-6(10)5(4(13)3-9)7(14)12(2)8(11)15/h3,10H2,1-2H3
InChIKey
QZIHPCABEPSLMA-UHFFFAOYSA-N
Compound name
6-amino-5-(2-chloroacetyl)-1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

231.04106 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04834 143.5
[M+Na]+ 254.03028 156.3
[M-H]- 230.03378 145.6
[M+NH4]+ 249.07488 160.2
[M+K]+ 270.00422 152.4
[M+H-H2O]+ 214.03832 137.7
[M+HCOO]- 276.03926 161.8
[M+CH3COO]- 290.05491 192.5
[M+Na-2H]- 252.01573 146.4
[M]+ 231.04051 147.8
[M]- 231.04161 147.8
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.