CID 3060820

78308-37-9

Structural Information

Molecular Formula

C₁₈H₂₈N₂O₃

SMILES

CCCCNC1=CC(=C(C=C1)C(=O)OC2CCN(CC2)CC)O

InChI

InChI=1S/C18H28N2O3/c1-3-5-10-19-14-6-7-16(17(21)13-14)18(22)23-15-8-11-20(4-2)12-9-15/h6-7,13,15,19,21H,3-5,8-12H2,1-2H3

InChIKey

XTTXUFVKBRLTCR-UHFFFAOYSA-N

Compound name

(1-ethylpiperidin-4-yl) 4-(butylamino)-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.21 Da
Monoisotopic Mass: 4.2
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]+	321.217276	179.1
[M+Na]+	343.199218	182.1
[M-H]-	319.202724	181.8
[M+NH4]+	338.243823	190.9
[M+K]+	359.173158	178.6
[M+H-H2O]+	303.207260	170.2
[M+HCOO]-	365.208201	195.8
[M+CH3COO]-	379.223851	209.3
[M+Na-2H]-	341.184666	178.8
[M]+	320.20945142	177.3
[M]-	320.21054858	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.