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

2
Annotation Hits: 0
References: 0
Patents: 294.07867 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.085946	165.5
[M+Na]+	317.067888	175.8
[M-H]-	293.071394	170.4
[M+NH4]+	312.112493	178.3
[M+K]+	333.041828	170.6
[M+H-H2O]+	277.075930	157.2
[M+HCOO]-	339.076871	183.5
[M+CH3COO]-	353.092521	203.2
[M+Na-2H]-	315.053336	169.7
[M]+	294.07812142	167.5
[M]-	294.07921858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.