CID 619188

162229-14-3

Structural Information

Molecular Formula
C15H17NO4S
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CS2)C(=O)OC
InChI
InChI=1S/C15H17NO4S/c1-8-11(14(17)19-3)13(10-6-5-7-21-10)12(9(2)16-8)15(18)20-4/h5-7,13,16H,1-4H3
InChIKey
YMVGDYYRAKPUNZ-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.08783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09511 169.7
[M+Na]+ 330.07705 177.9
[M-H]- 306.08055 174.7
[M+NH4]+ 325.12165 185.4
[M+K]+ 346.05099 174.5
[M+H-H2O]+ 290.08509 163.3
[M+HCOO]- 352.08603 184.4
[M+CH3COO]- 366.10168 200.8
[M+Na-2H]- 328.06250 165.9
[M]+ 307.08728 174.2
[M]- 307.08838 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.