CID 3489

Glybuzole

Structural Information

Molecular Formula
C12H15N3O2S2
SMILES
CC(C)(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H15N3O2S2/c1-12(2,3)10-13-14-11(18-10)15-19(16,17)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15)
InChIKey
NMWQEPCLNXHPDX-UHFFFAOYSA-N
Compound name
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

3688
Patents

297.06058 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.067856 168.1
[M+Na]+ 320.049798 177.5
[M-H]- 296.053304 172.7
[M+NH4]+ 315.094403 183.2
[M+K]+ 336.023738 172.3
[M+H-H2O]+ 280.057840 161.3
[M+HCOO]- 342.058781 179.6
[M+CH3COO]- 356.074431 198.2
[M+Na-2H]- 318.035246 171.2
[M]+ 297.06003142 171.3
[M]- 297.06112858 171.3
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