CID 264327

54535-22-7

Structural Information

Molecular Formula

C₁₄H₁₇NO₄

SMILES

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

InChI

InChI=1S/C14H17NO4/c1-3-18-13(16)12(14(17)19-4-2)10-15-11-8-6-5-7-9-11/h5-10,15H,3-4H2,1-2H3

InChIKey

PYPCDUKQEIPHAF-UHFFFAOYSA-N

Compound name

diethyl 2-(anilinomethylidene)propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 476
Patents: 263.11575 Da
Monoisotopic Mass: 3.2
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]+	264.12303	161.3
[M+Na]+	286.10497	170.1
[M+NH4]+	281.14957	166.6
[M+K]+	302.07891	165.5
[M-H]-	262.10847	161.2
[M+Na-2H]-	284.09042	165.1
[M]+	263.11520	162.0
[M]-	263.11630	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe