CID 96284

5-pyrimidinesulfonic acid, 4,6-diamino-2-hydroxy-

Structural Information

Molecular Formula
C4H6N4O4S
SMILES
C1(=C(NC(=O)N=C1N)N)S(=O)(=O)O
InChI
InChI=1S/C4H6N4O4S/c5-2-1(13(10,11)12)3(6)8-4(9)7-2/h(H,10,11,12)(H5,5,6,7,8,9)
InChIKey
NNANXJIDYTYZPT-UHFFFAOYSA-N
Compound name
4,6-diamino-2-oxo-1H-pyrimidine-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.01097 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.01825 138.7
[M+Na]+ 229.00019 148.9
[M-H]- 205.00369 137.3
[M+NH4]+ 224.04479 153.2
[M+K]+ 244.97413 144.4
[M+H-H2O]+ 189.00823 132.5
[M+HCOO]- 251.00917 154.2
[M+CH3COO]- 265.02482 179.9
[M+Na-2H]- 226.98564 142.7
[M]+ 206.01042 136.6
[M]- 206.01152 136.6
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

patents stripe