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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10600 176.2
[M+Na]+ 345.08794 186.6
[M+NH4]+ 340.13254 181.4
[M+K]+ 361.06188 182.5
[M-H]- 321.09144 176.4
[M+Na-2H]- 343.07339 178.6
[M]+ 322.09817 177.9
[M]- 322.09927 177.9
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.