CID 2806443

Ns00018125

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CCOC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCOCC2
InChI
InChI=1S/C16H18N2O3/c1-2-21-15-5-3-13(4-6-15)11-14(12-17)16(19)18-7-9-20-10-8-18/h3-6,11H,2,7-10H2,1H3
InChIKey
AULPXCVZITYZPS-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.13174 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 165.8
[M+Na]+ 309.120958 172.1
[M-H]- 285.124464 169.0
[M+NH4]+ 304.165563 176.5
[M+K]+ 325.094898 168.6
[M+H-H2O]+ 269.129000 150.5
[M+HCOO]- 331.129941 178.9
[M+CH3COO]- 345.145591 209.4
[M+Na-2H]- 307.106406 167.4
[M]+ 286.13119142 159.0
[M]- 286.13228858 159.0
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.