CID 168683

19350-66-4

Structural Information

Molecular Formula
C14H19NO6
SMILES
CCOC(=O)C1=C(NC(=C(C1C(=O)O)C(=O)OCC)C)C
InChI
InChI=1S/C14H19NO6/c1-5-20-13(18)9-7(3)15-8(4)10(11(9)12(16)17)14(19)21-6-2/h11,15H,5-6H2,1-4H3,(H,16,17)
InChIKey
USGQSNVLGQWBEC-UHFFFAOYSA-N
Compound name
3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

297.12125 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12853 164.8
[M+Na]+ 320.11047 171.6
[M-H]- 296.11397 164.6
[M+NH4]+ 315.15507 177.8
[M+K]+ 336.08441 170.2
[M+H-H2O]+ 280.11851 158.4
[M+HCOO]- 342.11945 180.9
[M+CH3COO]- 356.13510 200.8
[M+Na-2H]- 318.09592 162.6
[M]+ 297.12070 168.1
[M]- 297.12180 168.1
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

patents stripe