CID 3046766

Sl 75,100

Structural Information

Molecular Formula

C₂₁H₂₅NO₃

SMILES

C1=CC=C(C=C1)C(=NCCCCCCCC(=O)O)C2=CC=CC=C2O

InChI

InChI=1S/C21H25NO3/c23-19-14-9-8-13-18(19)21(17-11-5-4-6-12-17)22-16-10-3-1-2-7-15-20(24)25/h4-6,8-9,11-14,23H,1-3,7,10,15-16H2,(H,24,25)

InChIKey

KBXLNBCPXMTPOX-UHFFFAOYSA-N

Compound name

8-[[(2-hydroxyphenyl)-phenylmethylidene]amino]octanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.18344 Da
Monoisotopic Mass: 4.7
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]+	340.190716	184.0
[M+Na]+	362.172658	186.9
[M-H]-	338.176164	188.0
[M+NH4]+	357.217263	195.8
[M+K]+	378.146598	182.1
[M+H-H2O]+	322.180700	175.1
[M+HCOO]-	384.181641	204.5
[M+CH3COO]-	398.197291	212.1
[M+Na-2H]-	360.158106	185.1
[M]+	339.18289142	184.8
[M]-	339.18398858	184.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.