CID 108702

55371-84-1

Structural Information

Molecular Formula
C10H9IN4O3S2
SMILES
CN1C(=NC(=O)C2=CC=C(C=C2)I)SC(=N1)S(=O)(=O)N
InChI
InChI=1S/C10H9IN4O3S2/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
GLMILQUITQKQHT-UHFFFAOYSA-N
Compound name
4-iodo-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

423.91608 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.92336 186.5
[M+Na]+ 446.90530 188.2
[M+NH4]+ 441.94990 187.6
[M+K]+ 462.87924 185.2
[M-H]- 422.90880 181.7
[M+Na-2H]- 444.89075 178.0
[M]+ 423.91553 184.9
[M]- 423.91663 184.9
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

No patent data available for this compound.