CID 108325

55217-94-2

Structural Information

Molecular Formula
C10H9ClN4O3S2
SMILES
CN1C(=NC(=O)C2=CC=C(C=C2)Cl)SC(=N1)S(=O)(=O)N
InChI
InChI=1S/C10H9ClN4O3S2/c1-15-9(19-10(14-15)20(12,17)18)13-8(16)6-2-4-7(11)5-3-6/h2-5H,1H3,(H2,12,17,18)
InChIKey
MDQNAHFKGIEHHZ-UHFFFAOYSA-N
Compound name
4-chloro-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.98047 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.98775 171.7
[M+Na]+ 354.96969 182.8
[M-H]- 330.97319 178.0
[M+NH4]+ 350.01429 186.3
[M+K]+ 370.94363 176.5
[M+H-H2O]+ 314.97773 165.3
[M+HCOO]- 376.97867 181.7
[M+CH3COO]- 390.99432 205.4
[M+Na-2H]- 352.95514 172.5
[M]+ 331.97992 176.6
[M]- 331.98102 176.6
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

No patent data available for this compound.