CID 125265325

935867-69-9

Structural Information

Molecular Formula
C8H13N5O7S2
SMILES
CN(S(=O)(=O)C)S(=O)(=O)NC(=O)NC1=NC(=CC(=O)N1)OC
InChI
InChI=1S/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)
InChIKey
QAYZUYJYJXIVLF-UHFFFAOYSA-N
Compound name
1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

355.02563 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.032906 172.6
[M+Na]+ 378.014848 178.4
[M-H]- 354.018354 173.1
[M+NH4]+ 373.059453 181.3
[M+K]+ 393.988788 175.2
[M+H-H2O]+ 338.022890 164.6
[M+HCOO]- 400.023831 183.6
[M+CH3COO]- 414.039481 211.4
[M+Na-2H]- 376.000296 178.3
[M]+ 355.02508142 176.5
[M]- 355.02617858 176.5
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.