CID 91174

Morpholine, 3-ethyl-4-(3,4,5-trimethoxycinnamoyl)-

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]+ 336.18056 179.9
[M+Na]+ 358.16250 185.5
[M-H]- 334.16600 185.3
[M+NH4]+ 353.20710 191.1
[M+K]+ 374.13644 184.5
[M+H-H2O]+ 318.17054 171.0
[M+HCOO]- 380.17148 196.8
[M+CH3COO]- 394.18713 210.9
[M+Na-2H]- 356.14795 180.0
[M]+ 335.17273 183.9
[M]- 335.17383 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.