CID 5327

Sulfamethazine

Structural Information

Molecular Formula
C12H14N4O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKey
ASWVTGNCAZCNNR-UHFFFAOYSA-N
Compound name
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1991
References

14369
Patents

278.08374 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09102 161.8
[M+Na]+ 301.07296 171.3
[M-H]- 277.07646 166.3
[M+NH4]+ 296.11756 175.1
[M+K]+ 317.04690 165.9
[M+H-H2O]+ 261.08100 153.5
[M+HCOO]- 323.08194 179.6
[M+CH3COO]- 337.09759 201.0
[M+Na-2H]- 299.05841 166.7
[M]+ 278.08319 162.9
[M]- 278.08429 162.9
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