CID 61366932

2-methanesulfinyl-1h-1,3-benzodiazol-6-amine dihydrochloride

Structural Information

Molecular Formula
C8H9N3OS
SMILES
CS(=O)C1=NC2=C(N1)C=C(C=C2)N
InChI
InChI=1S/C8H9N3OS/c1-13(12)8-10-6-3-2-5(9)4-7(6)11-8/h2-4H,9H2,1H3,(H,10,11)
InChIKey
JCIAXZMPUAHPSY-UHFFFAOYSA-N
Compound name
2-methylsulfinyl-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04663 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.053906 137.4
[M+Na]+ 218.035848 148.8
[M-H]- 194.039354 139.0
[M+NH4]+ 213.080453 157.1
[M+K]+ 234.009788 144.3
[M+H-H2O]+ 178.043890 131.5
[M+HCOO]- 240.044831 155.0
[M+CH3COO]- 254.060481 150.8
[M+Na-2H]- 216.021296 141.2
[M]+ 195.04608142 138.9
[M]- 195.04717858 138.9
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.