CID 3075486

183999-60-2

Structural Information

Molecular Formula
C8H5N5O4S3
SMILES
C1=C(SC(=C1)[N+](=O)[O-])C2=CN3C(=N2)SC(=N3)S(=O)(=O)N
InChI
InChI=1S/C8H5N5O4S3/c9-20(16,17)8-11-12-3-4(10-7(12)19-8)5-1-2-6(18-5)13(14)15/h1-3H,(H2,9,16,17)
InChIKey
RAMQUZMFGHBTJF-UHFFFAOYSA-N
Compound name
6-(5-nitrothiophen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

330.95038 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.95766 170.3
[M+Na]+ 353.93960 183.0
[M-H]- 329.94310 176.5
[M+NH4]+ 348.98420 186.2
[M+K]+ 369.91354 174.0
[M+H-H2O]+ 313.94764 170.6
[M+HCOO]- 375.94858 182.3
[M+CH3COO]- 389.96423 195.6
[M+Na-2H]- 351.92505 175.2
[M]+ 330.94983 173.4
[M]- 330.95093 173.4
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