CID 6913706

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

Structural Information

Molecular Formula
C18H18ClNO3
SMILES
CNCCOC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H18ClNO3/c1-20-11-12-22-18(21)17(13-14-5-3-2-4-6-14)23-16-9-7-15(19)8-10-16/h2-10,13,20H,11-12H2,1H3/b17-13-
InChIKey
PDWDXIWJGFZSFH-LGMDPLHJSA-N
Compound name
2-(methylamino)ethyl (Z)-2-(4-chlorophenoxy)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.09753 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.104806 176.8
[M+Na]+ 354.086748 182.4
[M-H]- 330.090254 182.7
[M+NH4]+ 349.131353 190.7
[M+K]+ 370.060688 177.3
[M+H-H2O]+ 314.094790 169.0
[M+HCOO]- 376.095731 195.4
[M+CH3COO]- 390.111381 208.5
[M+Na-2H]- 352.072196 179.4
[M]+ 331.09698142 180.7
[M]- 331.09807858 180.7
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.