CID 80583

6314-73-4

Structural Information

Molecular Formula
C12H15N3O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)C(C)C
InChI
InChI=1S/C12H15N3O2S2/c1-8(2)11-13-14-12(18-11)15-19(16,17)10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H,14,15)
InChIKey
RVZBTLZCOLGOHU-UHFFFAOYSA-N
Compound name
4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

297.06058 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.067856 165.7
[M+Na]+ 320.049798 175.1
[M-H]- 296.053304 170.5
[M+NH4]+ 315.094403 180.8
[M+K]+ 336.023738 170.0
[M+H-H2O]+ 280.057840 158.7
[M+HCOO]- 342.058781 177.5
[M+CH3COO]- 356.074431 200.3
[M+Na-2H]- 318.035246 166.3
[M]+ 297.06003142 169.4
[M]- 297.06112858 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe