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]+ 309.090346 169.3
[M+Na]+ 331.072288 177.9
[M-H]- 307.075794 173.1
[M+NH4]+ 326.116893 183.6
[M+K]+ 347.046228 174.6
[M+H-H2O]+ 291.080330 162.3
[M+HCOO]- 353.081271 183.1
[M+CH3COO]- 367.096921 200.6
[M+Na-2H]- 329.057736 165.9
[M]+ 308.08252142 173.9
[M]- 308.08361858 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