CID 12942911

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

Structural Information

Molecular Formula
C16H20N2O4S
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=NC=CS2)C(=O)OCC)C)C
InChI
InChI=1S/C16H20N2O4S/c1-5-21-15(19)11-9(3)18-10(4)12(16(20)22-6-2)13(11)14-17-7-8-23-14/h7-8,13,18H,5-6H2,1-4H3
InChIKey
IJHIPXOSVHYOIA-UHFFFAOYSA-N
Compound name
diethyl 2,6-dimethyl-4-(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

336.11438 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12166 179.9
[M+Na]+ 359.10360 189.8
[M+NH4]+ 354.14820 185.0
[M+K]+ 375.07754 185.2
[M-H]- 335.10710 180.1
[M+Na-2H]- 357.08905 182.4
[M]+ 336.11383 181.5
[M]- 336.11493 181.5
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

patents stripe