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 178.1
[M+Na]+ 359.10360 185.7
[M-H]- 335.10710 181.4
[M+NH4]+ 354.14820 191.2
[M+K]+ 375.07754 182.0
[M+H-H2O]+ 319.11164 170.6
[M+HCOO]- 381.11258 191.2
[M+CH3COO]- 395.12823 206.4
[M+Na-2H]- 357.08905 173.7
[M]+ 336.11383 183.3
[M]- 336.11493 183.3
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

patents stripe