CID 983386

301306-00-3

Structural Information

Molecular Formula

C₂₃H₂₄ClNO₅

SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(O2)C3=CC(=CC=C3)Cl)C(=O)OCC)C)C

InChI

InChI=1S/C23H24ClNO5/c1-5-28-22(26)19-13(3)25-14(4)20(23(27)29-6-2)21(19)18-11-10-17(30-18)15-8-7-9-16(24)12-15/h7-12,21,25H,5-6H2,1-4H3

InChIKey

TZVHMNCOKQYGJE-UHFFFAOYSA-N

Compound name

diethyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 429.1343 Da
Monoisotopic Mass: 4.7
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]+	430.141576	202.4
[M+Na]+	452.123518	210.5
[M-H]-	428.127024	210.9
[M+NH4]+	447.168123	211.9
[M+K]+	468.097458	206.1
[M+H-H2O]+	412.131560	194.2
[M+HCOO]-	474.132501	215.4
[M+CH3COO]-	488.148151	225.5
[M+Na-2H]-	450.108966	198.0
[M]+	429.13375142	209.7
[M]-	429.13484858	209.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.