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 181.0
[M+Na]+ 357.12096 187.0
[M-H]- 333.12446 186.0
[M+NH4]+ 352.16556 189.1
[M+K]+ 373.09490 181.1
[M+H-H2O]+ 317.12900 164.1
[M+HCOO]- 379.12994 193.7
[M+CH3COO]- 393.14559 216.5
[M+Na-2H]- 355.10641 182.2
[M]+ 334.13119 172.7
[M]- 334.13229 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.