CID 6445050

Morpholine, 2-ethyl-4-(4-hydroxy-3-methoxycinnamoyl)-, acetate

Structural Information

Molecular Formula
C18H23NO5
SMILES
CCC1CN(CCO1)C(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C)OC
InChI
InChI=1S/C18H23NO5/c1-4-15-12-19(9-10-23-15)18(21)8-6-14-5-7-16(24-13(2)20)17(11-14)22-3/h5-8,11,15H,4,9-10,12H2,1-3H3/b8-6+
InChIKey
JIFCUHLDAWXNNS-SOFGYWHQSA-N
Compound name
[4-[(E)-3-(2-ethylmorpholin-4-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.15762 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.164896 178.8
[M+Na]+ 356.146838 183.6
[M-H]- 332.150344 183.9
[M+NH4]+ 351.191443 189.7
[M+K]+ 372.120778 182.4
[M+H-H2O]+ 316.154880 170.0
[M+HCOO]- 378.155821 194.9
[M+CH3COO]- 392.171471 209.2
[M+Na-2H]- 354.132286 178.4
[M]+ 333.15707142 181.0
[M]- 333.15816858 181.0
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.