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]+ 335.139016 181.0
[M+Na]+ 357.120958 187.0
[M-H]- 333.124464 186.0
[M+NH4]+ 352.165563 189.1
[M+K]+ 373.094898 181.1
[M+H-H2O]+ 317.129000 164.1
[M+HCOO]- 379.129941 193.7
[M+CH3COO]- 393.145591 216.5
[M+Na-2H]- 355.106406 182.2
[M]+ 334.13119142 172.7
[M]- 334.13228858 172.7
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.