CID 2768942

5-(1h-benzimidazol-2-yl)pyridin-2-ol

Structural Information

Molecular Formula
C12H9N3O
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CNC(=O)C=C3
InChI
InChI=1S/C12H9N3O/c16-11-6-5-8(7-13-11)12-14-9-3-1-2-4-10(9)15-12/h1-7H,(H,13,16)(H,14,15)
InChIKey
SVRLGIZVNZPDAS-UHFFFAOYSA-N
Compound name
5-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

211.07455 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08183 143.5
[M+Na]+ 234.06377 154.8
[M-H]- 210.06727 145.6
[M+NH4]+ 229.10837 159.7
[M+K]+ 250.03771 148.1
[M+H-H2O]+ 194.07181 135.3
[M+HCOO]- 256.07275 164.0
[M+CH3COO]- 270.08840 156.1
[M+Na-2H]- 232.04922 151.6
[M]+ 211.07400 142.3
[M]- 211.07510 142.3
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