CID 3652798

15917-88-1

Structural Information

Molecular Formula

C₁₇H₁₉NO₃

SMILES

CCOC(=O)CNC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO3/c1-2-20-17(19)12-18-15-8-10-16(11-9-15)21-13-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3

InChIKey

SXBRYBUOFKTAFF-UHFFFAOYSA-N

Compound name

ethyl 2-(4-phenylmethoxyanilino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 285.1365 Da
Monoisotopic Mass: 3.7
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]+	286.14378	167.7
[M+Na]+	308.12572	180.4
[M+NH4]+	303.17032	175.2
[M+K]+	324.09966	172.8
[M-H]-	284.12922	172.0
[M+Na-2H]-	306.11117	176.2
[M]+	285.13595	170.6
[M]-	285.13705	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe