CID 68648

Leucinocaine

Structural Information

Molecular Formula

C₁₇H₂₈N₂O₂

SMILES

CCN(CC)C(CC(C)C)COC(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C17H28N2O2/c1-5-19(6-2)16(11-13(3)4)12-21-17(20)14-7-9-15(18)10-8-14/h7-10,13,16H,5-6,11-12,18H2,1-4H3

InChIKey

MLHBDHJHNDJBLI-UHFFFAOYSA-N

Compound name

[2-(diethylamino)-4-methylpentyl] 4-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 32
References: 2233
Patents: 292.2151 Da
Monoisotopic Mass: 3.6
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]+	293.22238	175.9
[M+Na]+	315.20432	178.7
[M-H]-	291.20782	179.4
[M+NH4]+	310.24892	191.1
[M+K]+	331.17826	177.9
[M+H-H2O]+	275.21236	168.0
[M+HCOO]-	337.21330	197.3
[M+CH3COO]-	351.22895	214.4
[M+Na-2H]-	313.18977	174.1
[M]+	292.21455	178.0
[M]-	292.21565	178.0

Literature stripe

literature stripe

Patent stripe

patents stripe