CID 108227

5-hydroxythiabendazole

Structural Information

Molecular Formula
C10H7N3OS
SMILES
C1=CC2=C(C=C1O)NC(=N2)C3=CSC=N3
InChI
InChI=1S/C10H7N3OS/c14-6-1-2-7-8(3-6)13-10(12-7)9-4-15-5-11-9/h1-5,14H,(H,12,13)
InChIKey
VNENJHUOPQAPAT-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

66
Patents

217.03099 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.03827 142.7
[M+Na]+ 240.02021 155.6
[M-H]- 216.02371 146.0
[M+NH4]+ 235.06481 161.8
[M+K]+ 255.99415 150.3
[M+H-H2O]+ 200.02825 136.6
[M+HCOO]- 262.02919 160.2
[M+CH3COO]- 276.04484 156.3
[M+Na-2H]- 238.00566 145.9
[M]+ 217.03044 145.4
[M]- 217.03154 145.4
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

patents stripe