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]+ 297.99508 162.5
[M+Na]+ 319.97702 175.5
[M-H]- 295.98052 165.8
[M+NH4]+ 315.02162 178.4
[M+K]+ 335.95096 170.4
[M+H-H2O]+ 279.98506 157.9
[M+HCOO]- 341.98600 174.1
[M+CH3COO]- 356.00165 174.5
[M+Na-2H]- 317.96247 165.3
[M]+ 296.98725 168.3
[M]- 296.98835 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.