CID 78441492

Chebi:94415

Structural Information

Molecular Formula

C₂₀H₂₅ClN₂O₅

SMILES

CCOC(=O)C1C(C(=C(N=C1COCCN)C)C(=O)OC)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17-18H,4,9-11,22H2,1-3H3

InChIKey

APRTUXPAFSNIOL-UHFFFAOYSA-N

Compound name

3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 408.1452 Da
Monoisotopic Mass: 2.0
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]+	409.152476	195.3
[M+Na]+	431.134418	202.2
[M-H]-	407.137924	200.2
[M+NH4]+	426.179023	205.4
[M+K]+	447.108358	198.3
[M+H-H2O]+	391.142460	186.8
[M+HCOO]-	453.143401	210.2
[M+CH3COO]-	467.159051	226.3
[M+Na-2H]-	429.119866	192.7
[M]+	408.14465142	202.5
[M]-	408.14574858	202.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.