CID 32725

1-methyl-2-(gamma-aminopropylthio)benzimidazole oxalate

Structural Information

Molecular Formula
C11H16N3S
SMILES
C[N+]1=C(NC2=CC=CC=C21)SCCCN
InChI
InChI=1S/C11H15N3S/c1-14-10-6-3-2-5-9(10)13-11(14)15-8-4-7-12/h2-3,5-6H,4,7-8,12H2,1H3/p+1
InChIKey
VDLZKNXYZOLKBI-UHFFFAOYSA-O
Compound name
3-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10649 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11377 143.2
[M+Na]+ 245.09571 157.3
[M+NH4]+ 240.14031 152.9
[M+K]+ 261.06965 150.8
[M-H]- 221.09921 146.9
[M+Na-2H]- 243.08116 149.6
[M]+ 222.10594 147.0
[M]- 222.10704 147.0
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.