CID 45051308

Dimethyl 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydro-3,5-pyridinedicarboxylate

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₄S

SMILES

CC1=CSC(=N1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC

InChI

InChI=1S/C15H18N2O4S/c1-7-6-22-13(16-7)12-10(14(18)20-4)8(2)17-9(3)11(12)15(19)21-5/h6,12,17H,1-5H3

InChIKey

LFZIRFDZWWXDNX-UHFFFAOYSA-N

Compound name

dimethyl 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.09872 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]+	323.105996	173.2
[M+Na]+	345.087938	182.1
[M-H]-	321.091444	177.1
[M+NH4]+	340.132543	187.1
[M+K]+	361.061878	178.6
[M+H-H2O]+	305.095980	166.3
[M+HCOO]-	367.096921	186.5
[M+CH3COO]-	381.112571	204.8
[M+Na-2H]-	343.073386	168.6
[M]+	322.09817142	178.5
[M]-	322.09926858	178.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.