CID 10402363

962-28-7

Structural Information

Molecular Formula
C10H7N3O4S2
SMILES
C1=CC2=C(C=C1OS(=O)(=O)O)NC(=N2)C3=CSC=N3
InChI
InChI=1S/C10H7N3O4S2/c14-19(15,16)17-6-1-2-7-8(3-6)13-10(12-7)9-4-18-5-11-9/h1-5H,(H,12,13)(H,14,15,16)
InChIKey
FYTJWBDCONMFDZ-UHFFFAOYSA-N
Compound name
[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.9878 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.995076 162.5
[M+Na]+ 319.977018 175.5
[M-H]- 295.980524 165.8
[M+NH4]+ 315.021623 178.4
[M+K]+ 335.950958 170.4
[M+H-H2O]+ 279.985060 157.9
[M+HCOO]- 341.986001 174.1
[M+CH3COO]- 356.001651 174.5
[M+Na-2H]- 317.962466 165.3
[M]+ 296.98725142 168.3
[M]- 296.98834858 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.