CID 45021

N-(2-pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate

Structural Information

Molecular Formula

C₁₉H₃₀N₂O₃

SMILES

CCCCOC1=C(C=CC=C1OC)C(=O)NCCN=C(C)CCC

InChI

InChI=1S/C19H30N2O3/c1-5-7-14-24-18-16(10-8-11-17(18)23-4)19(22)21-13-12-20-15(3)9-6-2/h8,10-11H,5-7,9,12-14H2,1-4H3,(H,21,22)

InChIKey

HQALNHVRXFVLNB-UHFFFAOYSA-N

Compound name

2-butoxy-3-methoxy-N-[2-(pentan-2-ylideneamino)ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 334.22565 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]+	335.232926	185.0
[M+Na]+	357.214868	188.6
[M-H]-	333.218374	188.9
[M+NH4]+	352.259473	199.0
[M+K]+	373.188808	186.6
[M+H-H2O]+	317.222910	176.4
[M+HCOO]-	379.223851	208.8
[M+CH3COO]-	393.239501	221.0
[M+Na-2H]-	355.200316	185.1
[M]+	334.22510142	191.1
[M]-	334.22619858	191.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.