CID 37497

Etidocaine

Structural Information

Molecular Formula

C₁₇H₂₈N₂O

SMILES

CCCN(CC)C(CC)C(=O)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)

InChIKey

VTUSIVBDOCDNHS-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 333
References: 16566
Patents: 276.22015 Da
Monoisotopic Mass: 3.7
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]+	277.22743	171.6
[M+Na]+	299.20937	175.6
[M-H]-	275.21287	175.9
[M+NH4]+	294.25397	188.1
[M+K]+	315.18331	174.1
[M+H-H2O]+	259.21741	164.0
[M+HCOO]-	321.21835	194.4
[M+CH3COO]-	335.23400	213.3
[M+Na-2H]-	297.19482	171.3
[M]+	276.21960	174.3
[M]-	276.22070	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe