CID 108688

55250-68-5

Structural Information

Molecular Formula
C10H9BrN4O3S2
SMILES
CN1C(=NC(=O)C2=CC=C(C=C2)Br)SC(=N1)S(=O)(=O)N
InChI
InChI=1S/C10H9BrN4O3S2/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
PGETUXJBIFHTLD-UHFFFAOYSA-N
Compound name
4-bromo-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

375.92996 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.93724 156.7
[M+Na]+ 398.91918 170.8
[M-H]- 374.92268 165.3
[M+NH4]+ 393.96378 172.9
[M+K]+ 414.89312 156.9
[M+H-H2O]+ 358.92722 155.7
[M+HCOO]- 420.92816 169.9
[M+CH3COO]- 434.94381 210.2
[M+Na-2H]- 396.90463 161.1
[M]+ 375.92941 178.2
[M]- 375.93051 178.2
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.