CID 690828

743-91-9

Structural Information

Molecular Formula

C₂₀H₁₇NO₃

SMILES

CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C20H17NO3/c1-2-24-20(23)15-7-10-16(11-8-15)21-13-18-17-6-4-3-5-14(17)9-12-19(18)22/h3-13,22H,2H2,1H3

InChIKey

CWWAKPGLKRKXRP-UHFFFAOYSA-N

Compound name

ethyl 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 319.12085 Da
Monoisotopic Mass: 4.3
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]+	320.128126	174.4
[M+Na]+	342.110068	181.7
[M-H]-	318.113574	182.0
[M+NH4]+	337.154673	189.2
[M+K]+	358.084008	177.0
[M+H-H2O]+	302.118110	165.5
[M+HCOO]-	364.119051	197.4
[M+CH3COO]-	378.134701	210.3
[M+Na-2H]-	340.095516	179.5
[M]+	319.12030142	176.7
[M]-	319.12139858	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe