CID 3047590

Imidazo(2,1-b)-1,3,4-thiadiazole-2-sulfonamide, 6-(4-nitrophenyl)-

Structural Information

Molecular Formula
C10H7N5O4S2
SMILES
C1=CC(=CC=C1C2=CN3C(=N2)SC(=N3)S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C10H7N5O4S2/c11-21(18,19)10-13-14-5-8(12-9(14)20-10)6-1-3-7(4-2-6)15(16)17/h1-5H,(H2,11,18,19)
InChIKey
LANYWJQMMUTKQJ-UHFFFAOYSA-N
Compound name
6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

324.99396 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.00124 162.3
[M+Na]+ 347.98318 173.3
[M+NH4]+ 343.02778 168.3
[M+K]+ 363.95712 172.2
[M-H]- 323.98668 164.5
[M+Na-2H]- 345.96863 167.3
[M]+ 324.99341 165.0
[M]- 324.99451 165.0
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

patents stripe