CID 198956

Benzenesulfonamide, n-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-p-methoxy-

Structural Information

Molecular Formula
C13H17N3O3S2
SMILES
CC(C)(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H17N3O3S2/c1-13(2,3)11-14-15-12(20-11)16-21(17,18)10-7-5-9(19-4)6-8-10/h5-8H,1-4H3,(H,15,16)
InChIKey
GMRFPMLJHOFDDW-UHFFFAOYSA-N
Compound name
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

327.07114 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07842 175.9
[M+Na]+ 350.06036 185.5
[M+NH4]+ 345.10496 181.9
[M+K]+ 366.03430 179.4
[M-H]- 326.06386 176.9
[M+Na-2H]- 348.04581 180.7
[M]+ 327.07059 178.4
[M]- 327.07169 178.4
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