CID 32331

Elucaine

Structural Information

Molecular Formula

C₁₉H₂₃NO₂

SMILES

CCN(CC)CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H23NO2/c1-3-20(4-2)15-18(16-11-7-5-8-12-16)22-19(21)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3

InChIKey

AVXDZNOJIVOGRR-UHFFFAOYSA-N

Compound name

[2-(diethylamino)-1-phenylethyl] benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 282
Patents: 297.17288 Da
Monoisotopic Mass: 4.1
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]+	298.180156	173.6
[M+Na]+	320.162098	176.8
[M-H]-	296.165604	180.4
[M+NH4]+	315.206703	188.3
[M+K]+	336.136038	174.6
[M+H-H2O]+	280.170140	164.5
[M+HCOO]-	342.171081	196.3
[M+CH3COO]-	356.186731	209.5
[M+Na-2H]-	318.147546	176.0
[M]+	297.17233142	175.6
[M]-	297.17342858	175.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe