CID 91174

Refchem:1053971

Structural Information

Molecular Formula
C18H25NO5
SMILES
CCC1CN(CCO1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H25NO5/c1-5-14-12-19(8-9-24-14)17(20)7-6-13-10-15(21-2)18(23-4)16(11-13)22-3/h6-7,10-11,14H,5,8-9,12H2,1-4H3
InChIKey
BAZBPLVEWJXYSU-UHFFFAOYSA-N
Compound name
1-(2-ethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.17328 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.180556 179.9
[M+Na]+ 358.162498 185.5
[M-H]- 334.166004 185.3
[M+NH4]+ 353.207103 191.1
[M+K]+ 374.136438 184.5
[M+H-H2O]+ 318.170540 171.0
[M+HCOO]- 380.171481 196.8
[M+CH3COO]- 394.187131 210.9
[M+Na-2H]- 356.147946 180.0
[M]+ 335.17273142 183.9
[M]- 335.17382858 183.9
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.