CID 6913707

Rm 38

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]+ 374.15175 190.6
[M+Na]+ 396.13369 195.1
[M-H]- 372.13719 197.4
[M+NH4]+ 391.17829 203.4
[M+K]+ 412.10763 190.6
[M+H-H2O]+ 356.14173 182.0
[M+HCOO]- 418.14267 208.6
[M+CH3COO]- 432.15832 220.7
[M+Na-2H]- 394.11914 190.9
[M]+ 373.14392 196.9
[M]- 373.14502 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.