CID 97034

Fwh 106

Structural Information

Molecular Formula
C13H17N3O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)CC(C)C
InChI
InChI=1S/C13H17N3O2S2/c1-9(2)8-12-14-15-13(19-12)16-20(17,18)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKey
PCAGBWNSEHFSDS-UHFFFAOYSA-N
Compound name
4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

311.07623 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08351 170.0
[M+Na]+ 334.06545 180.2
[M+NH4]+ 329.11005 176.7
[M+K]+ 350.03939 173.2
[M-H]- 310.06895 171.9
[M+Na-2H]- 332.05090 175.1
[M]+ 311.07568 172.8
[M]- 311.07678 172.8
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