CID 462436

5-hydroxysulfadiazine-sulfate

Structural Information

Molecular Formula
C10H10N4O6S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=C(C=N2)OS(=O)(=O)O
InChI
InChI=1S/C10H10N4O6S2/c11-7-1-3-9(4-2-7)21(15,16)14-10-12-5-8(6-13-10)20-22(17,18)19/h1-6H,11H2,(H,12,13,14)(H,17,18,19)
InChIKey
OKMUAXHTHRNOIC-UHFFFAOYSA-N
Compound name
[2-[(4-aminophenyl)sulfonylamino]pyrimidin-5-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.00418 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.01146 172.2
[M+Na]+ 368.99340 180.0
[M-H]- 344.99690 174.3
[M+NH4]+ 364.03800 180.9
[M+K]+ 384.96734 174.3
[M+H-H2O]+ 329.00144 164.2
[M+HCOO]- 391.00238 183.0
[M+CH3COO]- 405.01803 204.3
[M+Na-2H]- 366.97885 179.2
[M]+ 346.00363 174.1
[M]- 346.00473 174.1
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

No patent data available for this compound.