CID 5744392

Win 2556

Structural Information

Molecular Formula

C₁₉H₃₀N₂O₃

SMILES

CCCCNC1=CC(=C(C=C1)C(=O)OCCCN2CCCCC2)O

InChI

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

InChIKey

WRIORSRWQPRAAW-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylpropyl 4-(butylamino)-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 334.22565 Da
Monoisotopic Mass: 4.4
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	183.2
[M+Na]+	357.214868	184.8
[M-H]-	333.218374	185.2
[M+NH4]+	352.259473	194.1
[M+K]+	373.188808	181.0
[M+H-H2O]+	317.222910	173.7
[M+HCOO]-	379.223851	199.5
[M+CH3COO]-	393.239501	211.0
[M+Na-2H]-	355.200316	183.1
[M]+	334.22510142	181.3
[M]-	334.22619858	181.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe