CID 6857918

Rm 26

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]+ 388.13103 191.2
[M+Na]+ 410.11297 194.4
[M-H]- 386.11647 198.2
[M+NH4]+ 405.15757 199.4
[M+K]+ 426.08691 190.4
[M+H-H2O]+ 370.12101 180.8
[M+HCOO]- 432.12195 202.4
[M+CH3COO]- 446.13760 214.4
[M+Na-2H]- 408.09842 192.1
[M]+ 387.12320 192.3
[M]- 387.12430 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.