CID 6064708

3-(4-morpholinyl)-4-(3,4,5-trimethoxyphenyl)-2-butenenitrile

Structural Information

Molecular Formula
C17H22N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C/C(=C/C#N)/N2CCOCC2
InChI
InChI=1S/C17H22N2O4/c1-20-15-11-13(12-16(21-2)17(15)22-3)10-14(4-5-18)19-6-8-23-9-7-19/h4,11-12H,6-10H2,1-3H3/b14-4-
InChIKey
JPDBRFMYBMFVMI-CPSFFCFKSA-N
Compound name
(Z)-3-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)but-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.15796 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16524 175.2
[M+Na]+ 341.14718 186.0
[M+NH4]+ 336.19178 177.8
[M+K]+ 357.12112 177.2
[M-H]- 317.15068 170.9
[M+Na-2H]- 339.13263 176.7
[M]+ 318.15741 174.5
[M]- 318.15851 174.5
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.