CID 6913706

Rm 40

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]+ 332.10481 176.8
[M+Na]+ 354.08675 182.4
[M-H]- 330.09025 182.7
[M+NH4]+ 349.13135 190.7
[M+K]+ 370.06069 177.3
[M+H-H2O]+ 314.09479 169.0
[M+HCOO]- 376.09573 195.4
[M+CH3COO]- 390.11138 208.5
[M+Na-2H]- 352.07220 179.4
[M]+ 331.09698 180.7
[M]- 331.09808 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.