CID 40745

Sch 3801

Structural Information

Molecular Formula

C₁₉H₂₇NO₄

SMILES

CCOC(=O)C(CN1CCCCC1)(C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H27NO4/c1-3-23-17(21)19(18(22)24-4-2,16-11-7-5-8-12-16)15-20-13-9-6-10-14-20/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3

InChIKey

LNPAHLGTMZENQF-UHFFFAOYSA-N

Compound name

diethyl 2-phenyl-2-(piperidin-1-ylmethyl)propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 333.194 Da
Monoisotopic Mass: 3.3
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]+	334.201276	181.4
[M+Na]+	356.183218	182.9
[M-H]-	332.186724	184.6
[M+NH4]+	351.227823	192.7
[M+K]+	372.157158	181.0
[M+H-H2O]+	316.191260	172.4
[M+HCOO]-	378.192201	196.1
[M+CH3COO]-	392.207851	207.9
[M+Na-2H]-	354.168666	182.6
[M]+	333.19345142	180.9
[M]-	333.19454858	180.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe