CID 6001627

38157-08-3

Structural Information

Molecular Formula

C₁₉H₂₀O₄

SMILES

CCOC(=O)/C=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C19H20O4/c1-3-22-19(20)12-10-15-9-11-17(18(13-15)21-2)23-14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3/b12-10+

InChIKey

MANFNAQSNYBICG-ZRDIBKRKSA-N

Compound name

ethyl (E)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 312.13617 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	313.143446	173.7
[M+Na]+	335.125388	180.1
[M-H]-	311.128894	180.0
[M+NH4]+	330.169993	188.1
[M+K]+	351.099328	176.8
[M+H-H2O]+	295.133430	165.2
[M+HCOO]-	357.134371	196.6
[M+CH3COO]-	371.150021	205.3
[M+Na-2H]-	333.110836	176.4
[M]+	312.13562142	178.8
[M]-	312.13671858	178.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe