CID 778999

20772-67-2

Structural Information

Molecular Formula

C₁₇H₁₇NO₄

SMILES

CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C(=CC=C2)OC)O

InChI

InChI=1S/C17H17NO4/c1-3-22-17(20)12-7-9-14(10-8-12)18-11-13-5-4-6-15(21-2)16(13)19/h4-11,19H,3H2,1-2H3

InChIKey

MJHNNXMGWZGPAE-UHFFFAOYSA-N

Compound name

ethyl 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 299.11575 Da
Monoisotopic Mass: 3.1
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]+	300.123026	168.2
[M+Na]+	322.104968	175.4
[M-H]-	298.108474	175.2
[M+NH4]+	317.149573	183.1
[M+K]+	338.078908	172.6
[M+H-H2O]+	282.113010	159.8
[M+HCOO]-	344.113951	192.8
[M+CH3COO]-	358.129601	205.7
[M+Na-2H]-	320.090416	171.7
[M]+	299.11520142	172.3
[M]-	299.11629858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe