CID 1113491

88046-00-8

Structural Information

Molecular Formula
C15H19NO6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=COCCO2)C(=O)OC
InChI
InChI=1S/C15H19NO6/c1-8-11(14(17)19-3)13(10-7-21-5-6-22-10)12(9(2)16-8)15(18)20-4/h7,13,16H,5-6H2,1-4H3
InChIKey
LZGBGZKCNXANHC-UHFFFAOYSA-N
Compound name
dimethyl 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.12125 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12853 170.7
[M+Na]+ 332.11047 177.0
[M-H]- 308.11397 176.1
[M+NH4]+ 327.15507 180.8
[M+K]+ 348.08441 177.8
[M+H-H2O]+ 292.11851 162.7
[M+HCOO]- 354.11945 185.4
[M+CH3COO]- 368.13510 203.3
[M+Na-2H]- 330.09592 171.5
[M]+ 309.12070 173.4
[M]- 309.12180 173.4
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