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]+ 319.165236 170.0
[M+Na]+ 341.147178 177.2
[M-H]- 317.150684 173.7
[M+NH4]+ 336.191783 180.2
[M+K]+ 357.121118 174.6
[M+H-H2O]+ 301.155220 154.6
[M+HCOO]- 363.156161 183.8
[M+CH3COO]- 377.171811 216.6
[M+Na-2H]- 339.132626 171.3
[M]+ 318.15741142 166.9
[M]- 318.15850858 166.9
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.