CID 12942912

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

Structural Information

Molecular Formula
C14H16N2O4S
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=NC=CS2)C(=O)OC
InChI
InChI=1S/C14H16N2O4S/c1-7-9(13(17)19-3)11(12-15-5-6-21-12)10(8(2)16-7)14(18)20-4/h5-6,11,16H,1-4H3
InChIKey
FZNAOCYSBJOAML-UHFFFAOYSA-N
Compound name
dimethyl 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

308.08307 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09035 169.3
[M+Na]+ 331.07229 177.9
[M-H]- 307.07579 173.1
[M+NH4]+ 326.11689 183.6
[M+K]+ 347.04623 174.6
[M+H-H2O]+ 291.08033 162.3
[M+HCOO]- 353.08127 183.1
[M+CH3COO]- 367.09692 200.6
[M+Na-2H]- 329.05774 165.9
[M]+ 308.08252 173.9
[M]- 308.08362 173.9
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

patents stripe