CID 5469980

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

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

1
Patents

278.10553 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.112806 163.8
[M+Na]+ 301.094748 173.1
[M-H]- 277.098254 168.0
[M+NH4]+ 296.139353 179.1
[M+K]+ 317.068688 166.9
[M+H-H2O]+ 261.102790 155.2
[M+HCOO]- 323.103731 184.8
[M+CH3COO]- 337.119381 175.4
[M+Na-2H]- 299.080196 168.5
[M]+ 278.10498142 165.6
[M]- 278.10607858 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

patents stripe