CID 52864

1-methyl-2-methylthio-5,6-dimethoxybenzimidazole hydrochloride

Structural Information

Molecular Formula
C11H15N2O2S
SMILES
C[N+]1=C(NC2=CC(=C(C=C21)OC)OC)SC
InChI
InChI=1S/C11H14N2O2S/c1-13-8-6-10(15-3)9(14-2)5-7(8)12-11(13)16-4/h5-6H,1-4H3/p+1
InChIKey
GLYCCYATLZEFTC-UHFFFAOYSA-O
Compound name
5,6-dimethoxy-3-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.08542 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09270 149.7
[M+Na]+ 262.07464 161.9
[M-H]- 238.07814 152.3
[M+NH4]+ 257.11924 168.5
[M+K]+ 278.04858 152.5
[M+H-H2O]+ 222.08268 146.5
[M+HCOO]- 284.08362 166.7
[M+CH3COO]- 298.09927 183.0
[M+Na-2H]- 260.06009 154.7
[M]+ 239.08487 155.8
[M]- 239.08597 155.8
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

No patent data available for this compound.