CID 4064549

4-((2-hydroxy-benzylidene)-amino)-benzoic acid hexyl ester

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)N=CC2=CC=CC=C2O

InChI

InChI=1S/C20H23NO3/c1-2-3-4-7-14-24-20(23)16-10-12-18(13-11-16)21-15-17-8-5-6-9-19(17)22/h5-6,8-13,15,22H,2-4,7,14H2,1H3

InChIKey

YKAYFNVROVMEIT-UHFFFAOYSA-N

Compound name

hexyl 4-[(2-hydroxyphenyl)methylideneamino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 5.3
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]+	326.175076	179.3
[M+Na]+	348.157018	184.4
[M-H]-	324.160524	185.3
[M+NH4]+	343.201623	192.8
[M+K]+	364.130958	180.2
[M+H-H2O]+	308.165060	170.3
[M+HCOO]-	370.166001	202.6
[M+CH3COO]-	384.181651	211.2
[M+Na-2H]-	346.142466	181.8
[M]+	325.16725142	182.5
[M]-	325.16834858	182.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.