CID 1113491

88046-00-8

Structural Information

Molecular Formula

C₁₅H₁₉NO₆

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=COCCO2)C(=O)OC

InChI

InChI=1S/C15H19NO6/c1-8-11(14(17)19-3)13(10-7-21-5-6-22-10)12(9(2)16-8)15(18)20-4/h7,13,16H,5-6H2,1-4H3

InChIKey

LZGBGZKCNXANHC-UHFFFAOYSA-N

Compound name

dimethyl 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.12125 Da
Monoisotopic Mass: 0.9
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]+	310.128526	170.7
[M+Na]+	332.110468	177.0
[M-H]-	308.113974	176.1
[M+NH4]+	327.155073	180.8
[M+K]+	348.084408	177.8
[M+H-H2O]+	292.118510	162.7
[M+HCOO]-	354.119451	185.4
[M+CH3COO]-	368.135101	203.3
[M+Na-2H]-	330.095916	171.5
[M]+	309.12070142	173.4
[M]-	309.12179858	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe