CID 4962647

22365-19-1

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 141.1
[M+Na]+ 240.01464 153.4
[M+NH4]+ 235.05924 146.4
[M+K]+ 255.98858 149.4
[M-H]- 216.01814 140.0
[M+Na-2H]- 238.00009 145.0
[M]+ 217.02487 142.4
[M]- 217.02597 142.4
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.