CID 6435691

Cinnamic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride

Structural Information

Molecular Formula
C21H23NO3
SMILES
C1COCCN1CC(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C21H23NO3/c23-21(12-11-18-7-3-1-4-8-18)25-20(19-9-5-2-6-10-19)17-22-13-15-24-16-14-22/h1-12,20H,13-17H2/b12-11+
InChIKey
YRQRUKXGTRAOME-VAWYXSNFSA-N
Compound name
(2-morpholin-4-yl-1-phenylethyl) (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 182.6
[M+Na]+ 360.15702 195.4
[M+NH4]+ 355.20162 189.6
[M+K]+ 376.13096 187.7
[M-H]- 336.16052 188.8
[M+Na-2H]- 358.14247 190.7
[M]+ 337.16725 186.1
[M]- 337.16835 186.1
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.