CID 95974

5-dichloroacetamidouracil

Structural Information

Molecular Formula
C6H5Cl2N3O3
SMILES
C1=C(C(=O)NC(=O)N1)NC(=O)C(Cl)Cl
InChI
InChI=1S/C6H5Cl2N3O3/c7-3(8)5(13)10-2-1-9-6(14)11-4(2)12/h1,3H,(H,10,13)(H2,9,11,12,14)
InChIKey
MQLBSYBWVCZQDB-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.9708 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.97808 139.8
[M+Na]+ 259.96002 149.7
[M-H]- 235.96352 138.3
[M+NH4]+ 255.00462 154.5
[M+K]+ 275.93396 144.1
[M+H-H2O]+ 219.96806 134.9
[M+HCOO]- 281.96900 150.4
[M+CH3COO]- 295.98465 183.5
[M+Na-2H]- 257.94547 144.1
[M]+ 236.97025 139.7
[M]- 236.97135 139.7
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.