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 139.1
[M+Na]+ 229.00019 147.4
[M+NH4]+ 224.04479 143.1
[M+K]+ 244.97413 144.7
[M-H]- 205.00369 136.8
[M+Na-2H]- 226.98564 141.4
[M]+ 206.01042 139.4
[M]- 206.01152 139.4
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