CID 45050955

853312-83-1

Structural Information

Molecular Formula

C₂₃H₂₄BrNO₅

SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(O2)C3=CC=CC=C3Br)C(=O)OCC)C)C

InChI

InChI=1S/C23H24BrNO5/c1-5-28-22(26)19-13(3)25-14(4)20(23(27)29-6-2)21(19)18-12-11-17(30-18)15-9-7-8-10-16(15)24/h7-12,21,25H,5-6H2,1-4H3

InChIKey

YCYJEQGVIGFSNF-UHFFFAOYSA-N

Compound name

diethyl 4-[5-(2-bromophenyl)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: 473.0838 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]+	474.091076	207.0
[M+Na]+	496.073018	216.4
[M-H]-	472.076524	217.4
[M+NH4]+	491.117623	217.7
[M+K]+	512.046958	206.0
[M+H-H2O]+	456.081060	204.5
[M+HCOO]-	518.082001	222.1
[M+CH3COO]-	532.097651	229.0
[M+Na-2H]-	494.058466	203.9
[M]+	473.08325142	230.0
[M]-	473.08434858	230.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.