CID 1510

2-(2-oxo-1,2-dihydropyridin-3-yl)-1h-benzo[d]imidazole-6-carboximidamide

Structural Information

Molecular Formula
C13H11N5O
SMILES
C1=CNC(=O)C(=C1)C2=NC3=C(N2)C=C(C=C3)C(=N)N
InChI
InChI=1S/C13H11N5O/c14-11(15)7-3-4-9-10(6-7)18-12(17-9)8-2-1-5-16-13(8)19/h1-6H,(H3,14,15)(H,16,19)(H,17,18)
InChIKey
PUOKYJMONGPAIM-UHFFFAOYSA-N
Compound name
2-(2-oxo-1H-pyridin-3-yl)-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

253.09636 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.103636 154.4
[M+Na]+ 276.085578 164.3
[M-H]- 252.089084 156.6
[M+NH4]+ 271.130183 168.1
[M+K]+ 292.059518 157.0
[M+H-H2O]+ 236.093620 145.9
[M+HCOO]- 298.094561 175.3
[M+CH3COO]- 312.110211 165.5
[M+Na-2H]- 274.071026 160.5
[M]+ 253.09581142 150.6
[M]- 253.09690858 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe