CID 103595

52122-75-5

Structural Information

Molecular Formula

C₂₃H₃₁NO₂

SMILES

CCCCCCCCCC1=CC(=C(C=C1)O)C(=NO)CC2=CC=CC=C2

InChI

InChI=1S/C23H31NO2/c1-2-3-4-5-6-7-9-14-20-15-16-23(25)21(17-20)22(24-26)18-19-12-10-8-11-13-19/h8,10-13,15-17,25-26H,2-7,9,14,18H2,1H3

InChIKey

YCBRZJYZKWMUBG-UHFFFAOYSA-N

Compound name

2-(C-benzyl-N-hydroxycarbonimidoyl)-4-nonylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 353.23547 Da
Monoisotopic Mass: 7.7
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]+	354.242746	190.7
[M+Na]+	376.224688	193.8
[M-H]-	352.228194	194.6
[M+NH4]+	371.269293	202.5
[M+K]+	392.198628	187.9
[M+H-H2O]+	336.232730	181.6
[M+HCOO]-	398.233671	211.1
[M+CH3COO]-	412.249321	217.1
[M+Na-2H]-	374.210136	191.1
[M]+	353.23492142	192.5
[M]-	353.23601858	192.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe