CID 6857918

Cinnamic acid, alpha-(p-chlorophenoxy)-, 2-morpholinoethyl ester, hydrochloride

Structural Information

Molecular Formula
C21H22ClNO4
SMILES
C1COCCN1CCOC(=O)/C(=C/C2=CC=CC=C2)/OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H22ClNO4/c22-18-6-8-19(9-7-18)27-20(16-17-4-2-1-3-5-17)21(24)26-15-12-23-10-13-25-14-11-23/h1-9,16H,10-15H2/b20-16-
InChIKey
VRLCSHNWACOKKE-SILNSSARSA-N
Compound name
2-morpholin-4-ylethyl (Z)-2-(4-chlorophenoxy)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.12375 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.131026 191.2
[M+Na]+ 410.112968 194.4
[M-H]- 386.116474 198.2
[M+NH4]+ 405.157573 199.4
[M+K]+ 426.086908 190.4
[M+H-H2O]+ 370.121010 180.8
[M+HCOO]- 432.121951 202.4
[M+CH3COO]- 446.137601 214.4
[M+Na-2H]- 408.098416 192.1
[M]+ 387.12320142 192.3
[M]- 387.12429858 192.3
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.