CID 6445493

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

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]+ 250.097486 155.8
[M+Na]+ 272.079428 165.2
[M-H]- 248.082934 158.5
[M+NH4]+ 267.124033 170.7
[M+K]+ 288.053368 158.6
[M+H-H2O]+ 232.087470 146.5
[M+HCOO]- 294.088411 175.9
[M+CH3COO]- 308.104061 167.3
[M+Na-2H]- 270.064876 162.2
[M]+ 249.08966142 155.6
[M]- 249.09075858 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.