CID 24707046

6-(1h-1,3-benzodiazol-1-yl)pyridine-3-carboximidamide dihydrochloride

Structural Information

Molecular Formula
C13H11N5
SMILES
C1=CC=C2C(=C1)N=CN2C3=NC=C(C=C3)C(=N)N
InChI
InChI=1S/C13H11N5/c14-13(15)9-5-6-12(16-7-9)18-8-17-10-3-1-2-4-11(10)18/h1-8H,(H3,14,15)
InChIKey
GYPJYTFFSKNAIG-UHFFFAOYSA-N
Compound name
6-(benzimidazol-1-yl)pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10144 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10872 150.7
[M+Na]+ 260.09066 160.4
[M-H]- 236.09416 155.0
[M+NH4]+ 255.13526 166.3
[M+K]+ 276.06460 154.7
[M+H-H2O]+ 220.09870 141.3
[M+HCOO]- 282.09964 174.2
[M+CH3COO]- 296.11529 162.9
[M+Na-2H]- 258.07611 158.4
[M]+ 237.10089 149.3
[M]- 237.10199 149.3
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.