CID 829590

2-(4-morpholinylcarbonyl)-3-(3-phenoxyphenyl)acrylonitrile

Structural Information

Molecular Formula
C20H18N2O3
SMILES
C1COCCN1C(=O)/C(=C/C2=CC(=CC=C2)OC3=CC=CC=C3)/C#N
InChI
InChI=1S/C20H18N2O3/c21-15-17(20(23)22-9-11-24-12-10-22)13-16-5-4-8-19(14-16)25-18-6-2-1-3-7-18/h1-8,13-14H,9-12H2/b17-13+
InChIKey
FCALUMRONOOSMX-GHRIWEEISA-N
Compound name
(E)-2-(morpholine-4-carbonyl)-3-(3-phenoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

334.13174 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13902 184.2
[M+Na]+ 357.12096 196.5
[M+NH4]+ 352.16556 187.5
[M+K]+ 373.09490 186.2
[M-H]- 333.12446 182.2
[M+Na-2H]- 355.10641 188.6
[M]+ 334.13119 184.5
[M]- 334.13229 184.5
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

No patent data available for this compound.