CID 3075485

183999-59-9

Structural Information

Molecular Formula
C13H8N4O4S2
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C(=N3)SC(=N4)S(=O)(=O)N
InChI
InChI=1S/C13H8N4O4S2/c14-23(19,20)13-16-17-6-9(15-12(17)22-13)8-5-7-3-1-2-4-10(7)21-11(8)18/h1-6H,(H2,14,19,20)
InChIKey
SXWVOIKIEIZZDG-UHFFFAOYSA-N
Compound name
6-(2-oxochromen-3-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

347.9987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.00598 175.7
[M+Na]+ 370.98792 191.9
[M-H]- 346.99142 183.7
[M+NH4]+ 366.03252 190.6
[M+K]+ 386.96186 187.1
[M+H-H2O]+ 330.99596 171.3
[M+HCOO]- 392.99690 190.3
[M+CH3COO]- 407.01255 188.8
[M+Na-2H]- 368.97337 180.9
[M]+ 347.99815 185.4
[M]- 347.99925 185.4
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