CID 73270

5-sulfaminouracil

Structural Information

Molecular Formula
C4H5N3O4S
SMILES
C1=C(C(=O)NC(=O)N1)S(=O)(=O)N
InChI
InChI=1S/C4H5N3O4S/c5-12(10,11)2-1-6-4(9)7-3(2)8/h1H,(H2,5,10,11)(H2,6,7,8,9)
InChIKey
KDRFQWXSVKKJEZ-UHFFFAOYSA-N
Compound name
2,4-dioxo-1H-pyrimidine-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

53
Patents

191.00008 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.00736 134.5
[M+Na]+ 213.98930 145.1
[M-H]- 189.99280 133.4
[M+NH4]+ 209.03390 149.9
[M+K]+ 229.96324 140.4
[M+H-H2O]+ 173.99734 128.6
[M+HCOO]- 235.99828 149.9
[M+CH3COO]- 250.01393 172.8
[M+Na-2H]- 211.97475 139.6
[M]+ 190.99953 133.1
[M]- 191.00063 133.1
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

patents stripe