CID 3006240

[6-(4-chlorophenyl)-2-sulfamoyl-imidazo[2,1-b][1,3,4]thiadiazol-5-yl] thiocyanate

Structural Information

Molecular Formula
C11H6ClN5O2S3
SMILES
C1=CC(=CC=C1C2=C(N3C(=N2)SC(=N3)S(=O)(=O)N)SC#N)Cl
InChI
InChI=1S/C11H6ClN5O2S3/c12-7-3-1-6(2-4-7)8-9(20-5-13)17-10(15-8)21-11(16-17)22(14,18)19/h1-4H,(H2,14,18,19)
InChIKey
RBVAVLDCNSBZDE-UHFFFAOYSA-N
Compound name
[6-(4-chlorophenyl)-2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-5-yl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.93723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.94451 196.3
[M+Na]+ 393.92645 212.2
[M-H]- 369.92995 200.6
[M+NH4]+ 388.97105 209.6
[M+K]+ 409.90039 205.1
[M+H-H2O]+ 353.93449 185.4
[M+HCOO]- 415.93543 197.2
[M+CH3COO]- 429.95108 205.0
[M+Na-2H]- 391.91190 195.2
[M]+ 370.93668 197.3
[M]- 370.93778 197.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.