CID 3038988

F 1231

Structural Information

Molecular Formula

C₂₃H₂₃NO₃

SMILES

CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C23H23NO3/c1-2-17-27-23(19-11-5-3-6-12-19,20-13-7-4-8-14-20)22(25)26-18-21-15-9-10-16-24-21/h3-16H,2,17-18H2,1H3

InChIKey

XLVDVHNOKAELRD-UHFFFAOYSA-N

Compound name

pyridin-2-ylmethyl 2,2-diphenyl-2-propoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 361.1678 Da
Monoisotopic Mass: 4.5
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]+	362.175076	188.9
[M+Na]+	384.157018	192.8
[M-H]-	360.160524	196.0
[M+NH4]+	379.201623	198.6
[M+K]+	400.130958	188.2
[M+H-H2O]+	344.165060	177.9
[M+HCOO]-	406.166001	208.1
[M+CH3COO]-	420.181651	213.2
[M+Na-2H]-	382.142466	194.1
[M]+	361.16725142	190.8
[M]-	361.16834858	190.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.