CID 2813431

Maybridge3_002609

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₄

SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4/c1-2-25-20(24)15-10-13-22(14-11-15)19(23)17-9-6-12-21-18(17)26-16-7-4-3-5-8-16/h3-9,12,15H,2,10-11,13-14H2,1H3

InChIKey

UPCUTDNNXUIBAE-UHFFFAOYSA-N

Compound name

ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 354.15796 Da
Monoisotopic Mass: 2.9
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]+	355.165236	184.2
[M+Na]+	377.147178	187.7
[M-H]-	353.150684	189.9
[M+NH4]+	372.191783	193.0
[M+K]+	393.121118	184.3
[M+H-H2O]+	337.155220	172.8
[M+HCOO]-	399.156161	199.9
[M+CH3COO]-	413.171811	211.7
[M+Na-2H]-	375.132626	184.9
[M]+	354.15741142	182.8
[M]-	354.15850858	182.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.