CID 51838

73622-53-4

Structural Information

Molecular Formula

C₁₈H₂₉NO₂

SMILES

CCCCN(CCCC)C(C1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C18H29NO2/c1-4-7-14-19(15-8-5-2)17(18(20)21-6-3)16-12-10-9-11-13-16/h9-13,17H,4-8,14-15H2,1-3H3

InChIKey

UOSBBMDSNMPFPS-UHFFFAOYSA-N

Compound name

ethyl 2-(dibutylamino)-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.21982 Da
Monoisotopic Mass: 4.7
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]+	292.227096	176.3
[M+Na]+	314.209038	178.8
[M-H]-	290.212544	179.7
[M+NH4]+	309.253643	191.8
[M+K]+	330.182978	177.5
[M+H-H2O]+	274.217080	168.2
[M+HCOO]-	336.218021	198.0
[M+CH3COO]-	350.233671	210.9
[M+Na-2H]-	312.194486	176.5
[M]+	291.21927142	180.8
[M]-	291.22036858	180.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.