CID 3075487

183999-74-8

Structural Information

Molecular Formula
C13H7BrN4O4S2
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(N4C(=N3)SC(=N4)S(=O)(=O)N)Br
InChI
InChI=1S/C13H7BrN4O4S2/c14-10-9(16-12-18(10)17-13(23-12)24(15,20)21)7-5-6-3-1-2-4-8(6)22-11(7)19/h1-5H,(H2,15,20,21)
InChIKey
RKDALKZOGYWMCQ-UHFFFAOYSA-N
Compound name
5-bromo-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

4
Patents

425.9092 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.91648 170.0
[M+Na]+ 448.89842 189.2
[M-H]- 424.90192 180.6
[M+NH4]+ 443.94302 186.1
[M+K]+ 464.87236 177.6
[M+H-H2O]+ 408.90646 172.6
[M+HCOO]- 470.90740 183.1
[M+CH3COO]- 484.92305 185.2
[M+Na-2H]- 446.88387 177.2
[M]+ 425.90865 197.8
[M]- 425.90975 197.8
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