CID 112988

Sulfaethylthiazole sodium

Structural Information

Molecular Formula
C11H13N3O2S2
SMILES
CCC1=CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H13N3O2S2/c1-2-9-7-17-11(13-9)14-18(15,16)10-5-3-8(12)4-6-10/h3-7H,2,12H2,1H3,(H,13,14)
InChIKey
WGZBALROKIHKHZ-UHFFFAOYSA-N
Compound name
4-amino-N-(4-ethyl-1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.04492 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05220 160.9
[M+Na]+ 306.03414 170.1
[M-H]- 282.03764 166.3
[M+NH4]+ 301.07874 177.3
[M+K]+ 322.00808 164.1
[M+H-H2O]+ 266.04218 154.1
[M+HCOO]- 328.04312 175.6
[M+CH3COO]- 342.05877 198.3
[M+Na-2H]- 304.01959 162.9
[M]+ 283.04437 162.6
[M]- 283.04547 162.6
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

patents stripe