CID 2267551

103976-28-9

Structural Information

Molecular Formula

C₁₆H₂₁NO₅

SMILES

CCOC1=CC=C(C=C1)NC=C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C16H21NO5/c1-4-20-13-9-7-12(8-10-13)17-11-14(15(18)21-5-2)16(19)22-6-3/h7-11,17H,4-6H2,1-3H3

InChIKey

WQQOKAKJKDTIBY-UHFFFAOYSA-N

Compound name

diethyl 2-[(4-ethoxyanilino)methylidene]propanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 372
Patents: 307.14197 Da
Monoisotopic Mass: 3.6
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]+	308.149246	172.3
[M+Na]+	330.131188	176.6
[M-H]-	306.134694	175.1
[M+NH4]+	325.175793	186.5
[M+K]+	346.105128	175.6
[M+H-H2O]+	290.139230	164.6
[M+HCOO]-	352.140171	194.3
[M+CH3COO]-	366.155821	206.8
[M+Na-2H]-	328.116636	172.8
[M]+	307.14142142	177.3
[M]-	307.14251858	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe