CID 3050501

4h-pyran-2-carboxylic acid, 5-hydroxy-6-((4-methyl-1-piperazinyl)methyl)-4-oxo-, ethyl ester

Structural Information

Molecular Formula
C14H20N2O5
SMILES
CCOC(=O)C1=CC(=O)C(=C(O1)CN2CCN(CC2)C)O
InChI
InChI=1S/C14H20N2O5/c1-3-20-14(19)11-8-10(17)13(18)12(21-11)9-16-6-4-15(2)5-7-16/h8,18H,3-7,9H2,1-2H3
InChIKey
QPKQBKAJQIVBHA-UHFFFAOYSA-N
Compound name
ethyl 5-hydroxy-6-[(4-methylpiperazin-1-yl)methyl]-4-oxopyran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14448 167.9
[M+Na]+ 319.12642 179.2
[M+NH4]+ 314.17102 172.6
[M+K]+ 335.10036 175.3
[M-H]- 295.12992 169.5
[M+Na-2H]- 317.11187 171.0
[M]+ 296.13665 169.6
[M]- 296.13775 169.6
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.

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No patent data available for this compound.