CID 1570599

Diethyl 2-((4-hydroxyanilino)methylene)malonate

Structural Information

Molecular Formula

C₁₄H₁₇NO₅

SMILES

CCOC(=O)C(=CNC1=CC=C(C=C1)O)C(=O)OCC

InChI

InChI=1S/C14H17NO5/c1-3-19-13(17)12(14(18)20-4-2)9-15-10-5-7-11(16)8-6-10/h5-9,15-16H,3-4H2,1-2H3

InChIKey

AROVANTVZUUXKG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 279.1107 Da
Monoisotopic Mass: 2.9
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]+	280.11798	164.1
[M+Na]+	302.09992	172.3
[M+NH4]+	297.14452	168.5
[M+K]+	318.07386	168.8
[M-H]-	278.10342	163.0
[M+Na-2H]-	300.08537	166.6
[M]+	279.11015	164.4
[M]-	279.11125	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe