CID 5328

Sulfamethizole

Structural Information

Molecular Formula
C9H10N4O2S2
SMILES
CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
InChIKey
VACCAVUAMIDAGB-UHFFFAOYSA-N
Compound name
4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

443
References

23544
Patents

270.0245 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03178 156.3
[M+Na]+ 293.01372 166.5
[M-H]- 269.01722 160.7
[M+NH4]+ 288.05832 171.9
[M+K]+ 308.98766 160.7
[M+H-H2O]+ 253.02176 149.3
[M+HCOO]- 315.02270 170.4
[M+CH3COO]- 329.03835 195.2
[M+Na-2H]- 290.99917 159.1
[M]+ 270.02395 157.7
[M]- 270.02505 157.7
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

patents stripe