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]+ 338.175076 182.3
[M+Na]+ 360.157018 183.9
[M-H]- 336.160524 189.0
[M+NH4]+ 355.201623 191.4
[M+K]+ 376.130958 180.7
[M+H-H2O]+ 320.165060 171.4
[M+HCOO]- 382.166001 197.9
[M+CH3COO]- 396.181651 207.6
[M+Na-2H]- 358.142466 184.2
[M]+ 337.16725142 179.1
[M]- 337.16834858 179.1
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.