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 154.8
[M+Na]+ 398.91918 155.7
[M+NH4]+ 393.96378 157.4
[M+K]+ 414.89312 157.0
[M-H]- 374.92268 155.0
[M+Na-2H]- 396.90463 157.8
[M]+ 375.92941 154.3
[M]- 375.93051 154.3
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.