CID 45051309

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

Structural Information

Molecular Formula
C17H22N2O4S
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=NC(=CS2)C)C(=O)OCC)C)C
InChI
InChI=1S/C17H22N2O4S/c1-6-22-16(20)12-10(4)19-11(5)13(17(21)23-7-2)14(12)15-18-9(3)8-24-15/h8,14,19H,6-7H2,1-5H3
InChIKey
BTSCKGQWBLWPOU-UHFFFAOYSA-N
Compound name
diethyl 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

350.13004 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13732 184.7
[M+Na]+ 373.11926 194.7
[M+NH4]+ 368.16386 189.6
[M+K]+ 389.09320 190.1
[M-H]- 349.12276 184.9
[M+Na-2H]- 371.10471 186.6
[M]+ 350.12949 186.3
[M]- 350.13059 186.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.