CID 204576

Brn 2819834

Structural Information

Molecular Formula

C₁₉H₂₃NO₃

SMILES

CCCCCCC1=CC(=C(C=C1O)O)C=NC2=CC=CC=C2O

InChI

InChI=1S/C19H23NO3/c1-2-3-4-5-8-14-11-15(19(23)12-18(14)22)13-20-16-9-6-7-10-17(16)21/h6-7,9-13,21-23H,2-5,8H2,1H3

InChIKey

GROYNPAXCJVQOZ-UHFFFAOYSA-N

Compound name

4-hexyl-6-[(2-hydroxyphenyl)iminomethyl]benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 313.1678 Da
Monoisotopic Mass: 5.1
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]+	314.175076	175.5
[M+Na]+	336.157018	181.9
[M-H]-	312.160524	179.6
[M+NH4]+	331.201623	188.9
[M+K]+	352.130958	176.4
[M+H-H2O]+	296.165060	167.5
[M+HCOO]-	358.166001	196.9
[M+CH3COO]-	372.181651	206.5
[M+Na-2H]-	334.142466	177.4
[M]+	313.16725142	176.9
[M]-	313.16834858	176.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.