CID 4962647

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

Structural Information

Molecular Formula
C7H8ClN3O3
SMILES
CN1C(=C(C(=O)NC1=O)C(=O)CCl)N
InChI
InChI=1S/C7H8ClN3O3/c1-11-5(9)4(3(12)2-8)6(13)10-7(11)14/h2,9H2,1H3,(H,10,13,14)
InChIKey
OORUZOLZIKLBDB-UHFFFAOYSA-N
Compound name
6-amino-5-(2-chloroacetyl)-1-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.02542 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.03270 140.1
[M+Na]+ 240.01464 151.9
[M-H]- 216.01814 140.6
[M+NH4]+ 235.05924 156.3
[M+K]+ 255.98858 147.3
[M+H-H2O]+ 200.02268 134.4
[M+HCOO]- 262.02362 157.2
[M+CH3COO]- 276.03927 185.8
[M+Na-2H]- 238.00009 143.7
[M]+ 217.02487 141.7
[M]- 217.02597 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.