CID 5469980

1-(1h-benzimidazol-2-yl)-3-(4-methoxyphenyl)-2-propen-1-one

Structural Information

Molecular Formula
C17H14N2O2
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C17H14N2O2/c1-21-13-9-6-12(7-10-13)8-11-16(20)17-18-14-4-2-3-5-15(14)19-17/h2-11H,1H3,(H,18,19)/b11-8+
InChIKey
QSCCDAGMEXKGHL-DHZHZOJOSA-N
Compound name
(E)-1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.10553 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 163.8
[M+Na]+ 301.09475 173.1
[M-H]- 277.09825 168.0
[M+NH4]+ 296.13935 179.1
[M+K]+ 317.06869 166.9
[M+H-H2O]+ 261.10279 155.2
[M+HCOO]- 323.10373 184.8
[M+CH3COO]- 337.11938 175.4
[M+Na-2H]- 299.08020 168.5
[M]+ 278.10498 165.6
[M]- 278.10608 165.6
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.