CID 6913707

2-propenoic acid, 2-(4-chlorophenoxy)-3-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C21H24ClNO3
SMILES
CCN(CC)CCOC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C21H24ClNO3/c1-3-23(4-2)14-15-25-21(24)20(16-17-8-6-5-7-9-17)26-19-12-10-18(22)11-13-19/h5-13,16H,3-4,14-15H2,1-2H3/b20-16-
InChIKey
GMCFARONIHOZMZ-SILNSSARSA-N
Compound name
2-(diethylamino)ethyl (Z)-2-(4-chlorophenoxy)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.14447 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.151746 190.6
[M+Na]+ 396.133688 195.1
[M-H]- 372.137194 197.4
[M+NH4]+ 391.178293 203.4
[M+K]+ 412.107628 190.6
[M+H-H2O]+ 356.141730 182.0
[M+HCOO]- 418.142671 208.6
[M+CH3COO]- 432.158321 220.7
[M+Na-2H]- 394.119136 190.9
[M]+ 373.14392142 196.9
[M]- 373.14501858 196.9
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.