CID 6445493

1-(1h-benzimidazol-2-yl)-3-(3-pyridinyl)-2-propen-1-one

Structural Information

Molecular Formula
C15H11N3O
SMILES
C1=CC=C2C(=C1)NC(=N2)C(=O)/C=C/C3=CN=CC=C3
InChI
InChI=1S/C15H11N3O/c19-14(8-7-11-4-3-9-16-10-11)15-17-12-5-1-2-6-13(12)18-15/h1-10H,(H,17,18)/b8-7+
InChIKey
NWFPHRMGPFJGDZ-BQYQJAHWSA-N
Compound name
(E)-1-(1H-benzimidazol-2-yl)-3-pyridin-3-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.09021 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09749 155.8
[M+Na]+ 272.07943 165.2
[M-H]- 248.08293 158.5
[M+NH4]+ 267.12403 170.7
[M+K]+ 288.05337 158.6
[M+H-H2O]+ 232.08747 146.5
[M+HCOO]- 294.08841 175.9
[M+CH3COO]- 308.10406 167.3
[M+Na-2H]- 270.06488 162.2
[M]+ 249.08966 155.6
[M]- 249.09076 155.6
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

No patent data available for this compound.