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 166.9
[M+Na]+ 347.98318 177.7
[M-H]- 323.98668 172.5
[M+NH4]+ 343.02778 181.1
[M+K]+ 363.95712 168.7
[M+H-H2O]+ 307.99122 165.3
[M+HCOO]- 369.99216 181.7
[M+CH3COO]- 384.00781 195.8
[M+Na-2H]- 345.96863 173.4
[M]+ 324.99341 169.1
[M]- 324.99451 169.1
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