CID 234310

Glysobuzole

Structural Information

Molecular Formula
C13H17N3O3S2
SMILES
CC(C)CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H17N3O3S2/c1-9(2)8-12-14-15-13(20-12)16-21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKey
LZCBNYVJTNCPDR-UHFFFAOYSA-N
Compound name
4-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

56
Patents

327.07114 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.078416 173.1
[M+Na]+ 350.060358 181.7
[M-H]- 326.063864 177.6
[M+NH4]+ 345.104963 186.9
[M+K]+ 366.034298 176.9
[M+H-H2O]+ 310.068400 165.8
[M+HCOO]- 372.069341 184.9
[M+CH3COO]- 386.084991 205.3
[M+Na-2H]- 348.045806 173.6
[M]+ 327.07059142 178.5
[M]- 327.07168858 178.5
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