CID 21151048

30077-88-4

Structural Information

Molecular Formula
C16H20N2O3
SMILES
COC1=C(C=C(C=C1)C/C(=C\N2CCOCC2)/C#N)OC
InChI
InChI=1S/C16H20N2O3/c1-19-15-4-3-13(10-16(15)20-2)9-14(11-17)12-18-5-7-21-8-6-18/h3-4,10,12H,5-9H2,1-2H3/b14-12+
InChIKey
RENFBGHOGQAHSK-WYMLVPIESA-N
Compound name
(E)-2-[(3,4-dimethoxyphenyl)methyl]-3-morpholin-4-ylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 164.2
[M+Na]+ 311.136618 171.2
[M-H]- 287.140124 167.7
[M+NH4]+ 306.181223 175.3
[M+K]+ 327.110558 168.0
[M+H-H2O]+ 271.144660 148.9
[M+HCOO]- 333.145601 178.1
[M+CH3COO]- 347.161251 210.9
[M+Na-2H]- 309.122066 166.5
[M]+ 288.14685142 159.1
[M]- 288.14794858 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.