CID 262774

N-tritylglycine ethyl ester

Structural Information

Molecular Formula

C₂₃H₂₃NO₂

SMILES

CCOC(=O)CNC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO2/c1-2-26-22(25)18-24-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,24H,2,18H2,1H3

InChIKey

CAFYNMFIEFNYRA-UHFFFAOYSA-N

Compound name

ethyl 2-(tritylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 345.17288 Da
Monoisotopic Mass: 4.8
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]+	346.180156	184.4
[M+Na]+	368.162098	187.7
[M-H]-	344.165604	192.8
[M+NH4]+	363.206703	195.9
[M+K]+	384.136038	182.6
[M+H-H2O]+	328.170140	174.5
[M+HCOO]-	390.171081	205.9
[M+CH3COO]-	404.186731	213.6
[M+Na-2H]-	366.147546	190.0
[M]+	345.17233142	183.9
[M]-	345.17342858	183.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe