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 169.8
[M+Na]+ 334.06545 178.8
[M-H]- 310.06895 174.4
[M+NH4]+ 329.11005 184.4
[M+K]+ 350.03939 173.4
[M+H-H2O]+ 294.07349 162.7
[M+HCOO]- 356.07443 181.4
[M+CH3COO]- 370.09008 203.3
[M+Na-2H]- 332.05090 170.0
[M]+ 311.07568 173.9
[M]- 311.07678 173.9
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