CID 4227281

3,3-bis-(4-methoxy-phenyl)-propionic acid ethyl ester

Structural Information

Molecular Formula

C₁₉H₂₂O₄

SMILES

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

InChI

InChI=1S/C19H22O4/c1-4-23-19(20)13-18(14-5-9-16(21-2)10-6-14)15-7-11-17(22-3)12-8-15/h5-12,18H,4,13H2,1-3H3

InChIKey

IKZNGUNYGHRJOE-UHFFFAOYSA-N

Compound name

ethyl 3,3-bis(4-methoxyphenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 314.1518 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]+	315.159076	174.8
[M+Na]+	337.141018	180.5
[M-H]-	313.144524	181.1
[M+NH4]+	332.185623	189.0
[M+K]+	353.114958	178.3
[M+H-H2O]+	297.149060	166.3
[M+HCOO]-	359.150001	196.5
[M+CH3COO]-	373.165651	207.6
[M+Na-2H]-	335.126466	176.3
[M]+	314.15125142	180.0
[M]-	314.15234858	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe