CID 3057571

74051-48-2

Structural Information

Molecular Formula
C7H11N3O5S
SMILES
CN1C(=C(C(=O)N(C1=O)C)OS(=O)(=O)C)N
InChI
InChI=1S/C7H11N3O5S/c1-9-5(8)4(15-16(3,13)14)6(11)10(2)7(9)12/h8H2,1-3H3
InChIKey
YMKCRBYAFDQHCX-UHFFFAOYSA-N
Compound name
(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.04195 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.049226 148.2
[M+Na]+ 272.031168 160.6
[M-H]- 248.034674 150.6
[M+NH4]+ 267.075773 163.5
[M+K]+ 288.005108 157.8
[M+H-H2O]+ 232.039210 141.8
[M+HCOO]- 294.040151 165.8
[M+CH3COO]- 308.055801 192.8
[M+Na-2H]- 270.016616 151.2
[M]+ 249.04140142 154.3
[M]- 249.04249858 154.3
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.