CID 66458

Glyprothiazol

Structural Information

Molecular Formula
C11H14N4O2S2
SMILES
CC(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H14N4O2S2/c1-7(2)10-13-14-11(18-10)15-19(16,17)9-5-3-8(12)4-6-9/h3-7H,12H2,1-2H3,(H,14,15)
InChIKey
OPIGMRDAPFQALU-UHFFFAOYSA-N
Compound name
4-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

196
Patents

298.05582 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.063096 164.6
[M+Na]+ 321.045038 173.4
[M-H]- 297.048544 168.8
[M+NH4]+ 316.089643 179.0
[M+K]+ 337.018978 167.9
[M+H-H2O]+ 281.053080 157.4
[M+HCOO]- 343.054021 177.0
[M+CH3COO]- 357.069671 201.9
[M+Na-2H]- 319.030486 165.7
[M]+ 298.05527142 166.2
[M]- 298.05636858 166.2
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