CID 619188

162229-14-3

Structural Information

Molecular Formula

C₁₅H₁₇NO₄S

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CS2)C(=O)OC

InChI

InChI=1S/C15H17NO4S/c1-8-11(14(17)19-3)13(10-6-5-7-21-10)12(9(2)16-8)15(18)20-4/h5-7,13,16H,1-4H3

InChIKey

YMVGDYYRAKPUNZ-UHFFFAOYSA-N

Compound name

dimethyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 307.08783 Da
Monoisotopic Mass: 2.3
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]+	308.095106	169.7
[M+Na]+	330.077048	177.9
[M-H]-	306.080554	174.7
[M+NH4]+	325.121653	185.4
[M+K]+	346.050988	174.5
[M+H-H2O]+	290.085090	163.3
[M+HCOO]-	352.086031	184.4
[M+CH3COO]-	366.101681	200.8
[M+Na-2H]-	328.062496	165.9
[M]+	307.08728142	174.2
[M]-	307.08837858	174.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.