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]+ 254.10364 153.7
[M+Na]+ 276.08558 163.3
[M-H]- 252.08908 158.1
[M+NH4]+ 271.13018 168.6
[M+K]+ 292.05952 158.3
[M+H-H2O]+ 236.09362 144.2
[M+HCOO]- 298.09456 177.4
[M+CH3COO]- 312.11021 165.8
[M+Na-2H]- 274.07103 161.5
[M]+ 253.09581 153.6
[M]- 253.09691 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.