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]+ 196.05391 137.4
[M+Na]+ 218.03585 148.8
[M-H]- 194.03935 139.0
[M+NH4]+ 213.08045 157.1
[M+K]+ 234.00979 144.3
[M+H-H2O]+ 178.04389 131.5
[M+HCOO]- 240.04483 155.0
[M+CH3COO]- 254.06048 150.8
[M+Na-2H]- 216.02130 141.2
[M]+ 195.04608 138.9
[M]- 195.04718 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.