CID 68817

Mesudipine

Structural Information

Molecular Formula
C19H24N2O4S
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=C(N=CC=C2)SC)C(=O)OCC)C)C
InChI
InChI=1S/C19H24N2O4S/c1-6-24-18(22)14-11(3)21-12(4)15(19(23)25-7-2)16(14)13-9-8-10-20-17(13)26-5/h8-10,16,21H,6-7H2,1-5H3
InChIKey
DYGIPCPWPHKLMC-UHFFFAOYSA-N
Compound name
diethyl 2,6-dimethyl-4-(2-methylsulfanyl-3-pyridinyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

128
Patents

376.1457 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15298 188.5
[M+Na]+ 399.13492 195.5
[M-H]- 375.13842 191.3
[M+NH4]+ 394.17952 198.1
[M+K]+ 415.10886 190.8
[M+H-H2O]+ 359.14296 179.7
[M+HCOO]- 421.14390 199.6
[M+CH3COO]- 435.15955 216.8
[M+Na-2H]- 397.12037 184.6
[M]+ 376.14515 194.1
[M]- 376.14625 194.1
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.