CID 10811

Glybuthiazol

Structural Information

Molecular Formula
C12H16N4O2S2
SMILES
CC(C)(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H16N4O2S2/c1-12(2,3)10-14-15-11(19-10)16-20(17,18)9-6-4-8(13)5-7-9/h4-7H,13H2,1-3H3,(H,15,16)
InChIKey
DVQVBLBKEXITIK-UHFFFAOYSA-N
Compound name
4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

2157
Patents

312.07147 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.078746 171.1
[M+Na]+ 335.060688 180.1
[M-H]- 311.064194 175.2
[M+NH4]+ 330.105293 185.1
[M+K]+ 351.034628 174.3
[M+H-H2O]+ 295.068730 164.1
[M+HCOO]- 357.069671 182.7
[M+CH3COO]- 371.085321 203.7
[M+Na-2H]- 333.046136 173.7
[M]+ 312.07092142 172.9
[M]- 312.07201858 172.9
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