CID 24698841

6-(1h-1,3-benzodiazol-1-yl)-n'-hydroxypyridine-3-carboximidamide

Structural Information

Molecular Formula
C13H11N5O
SMILES
C1=CC=C2C(=C1)N=CN2C3=NC=C(C=C3)/C(=N/O)/N
InChI
InChI=1S/C13H11N5O/c14-13(17-19)9-5-6-12(15-7-9)18-8-16-10-3-1-2-4-11(10)18/h1-8,19H,(H2,14,17)
InChIKey
PBYOJHNFHVUBHF-UHFFFAOYSA-N
Compound name
6-(benzimidazol-1-yl)-N'-hydroxypyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.09636 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.103636 153.7
[M+Na]+ 276.085578 163.3
[M-H]- 252.089084 158.1
[M+NH4]+ 271.130183 168.6
[M+K]+ 292.059518 158.3
[M+H-H2O]+ 236.093620 144.2
[M+HCOO]- 298.094561 177.4
[M+CH3COO]- 312.110211 165.8
[M+Na-2H]- 274.071026 161.5
[M]+ 253.09581142 153.6
[M]- 253.09690858 153.6
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.