CID 6445070

2-cinnamoylbenzimidazole

Structural Information

Molecular Formula
C16H12N2O
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H12N2O/c19-15(11-10-12-6-2-1-3-7-12)16-17-13-8-4-5-9-14(13)18-16/h1-11H,(H,17,18)/b11-10+
InChIKey
HRDWTSALKOENCD-ZHACJKMWSA-N
Compound name
(E)-1-(1H-benzimidazol-2-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

248.09496 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 155.9
[M+Na]+ 271.08418 164.9
[M-H]- 247.08768 159.9
[M+NH4]+ 266.12878 172.2
[M+K]+ 287.05812 158.3
[M+H-H2O]+ 231.09222 147.4
[M+HCOO]- 293.09316 177.1
[M+CH3COO]- 307.10881 167.8
[M+Na-2H]- 269.06963 161.9
[M]+ 248.09441 155.5
[M]- 248.09551 155.5
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