CID 9578485

Sulfamethazine n-oxide

Structural Information

Molecular Formula
C12H14N4O3S
SMILES
CC1=CC(=N/C(=N\S(=O)(=O)C2=CC=C(C=C2)N)/N1O)C
InChI
InChI=1S/C12H14N4O3S/c1-8-7-9(2)16(17)12(14-8)15-20(18,19)11-5-3-10(13)4-6-11/h3-7,17H,13H2,1-2H3/b15-12+
InChIKey
XXHKFIAOPOLYCT-NTCAYCPXSA-N
Compound name
(NE)-4-amino-N-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.07867 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08595 165.0
[M+Na]+ 317.06789 177.1
[M+NH4]+ 312.11249 170.5
[M+K]+ 333.04183 170.7
[M-H]- 293.07139 167.3
[M+Na-2H]- 315.05334 171.7
[M]+ 294.07812 167.6
[M]- 294.07922 167.6
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

No patent data available for this compound.