CID 10528

Dl 219

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

CCC(CN(C)C)(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H25NO2/c1-4-20(16-21(2)3,18-13-9-6-10-14-18)19(22)23-15-17-11-7-5-8-12-17/h5-14H,4,15-16H2,1-3H3

InChIKey

KTMMAQUOYWBMQY-UHFFFAOYSA-N

Compound name

benzyl 2-[(dimethylamino)methyl]-2-phenylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 311.18854 Da
Monoisotopic Mass: 4.0
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]+	312.195816	177.2
[M+Na]+	334.177758	180.8
[M-H]-	310.181264	184.2
[M+NH4]+	329.222363	191.6
[M+K]+	350.151698	178.4
[M+H-H2O]+	294.185800	168.5
[M+HCOO]-	356.186741	199.1
[M+CH3COO]-	370.202391	212.0
[M+Na-2H]-	332.163206	181.2
[M]+	311.18799142	179.8
[M]-	311.18908858	179.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe