CID 3070514

Ethyl n-methylpiperazine amide pyranedicarboxylate hydrochloride

Structural Information

Molecular Formula
C14H18N2O5
SMILES
CCOC(=O)C1=CC(=O)C=C(O1)C(=O)N2CCN(CC2)C
InChI
InChI=1S/C14H18N2O5/c1-3-20-14(19)12-9-10(17)8-11(21-12)13(18)16-6-4-15(2)5-7-16/h8-9H,3-7H2,1-2H3
InChIKey
ZJAHEZXPUAXJID-UHFFFAOYSA-N
Compound name
ethyl 6-(4-methylpiperazine-1-carbonyl)-4-oxopyran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12158 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.128856 165.3
[M+Na]+ 317.110798 171.7
[M-H]- 293.114304 169.7
[M+NH4]+ 312.155403 176.3
[M+K]+ 333.084738 171.2
[M+H-H2O]+ 277.118840 156.2
[M+HCOO]- 339.119781 181.4
[M+CH3COO]- 353.135431 200.8
[M+Na-2H]- 315.096246 166.9
[M]+ 294.12103142 166.6
[M]- 294.12212858 166.6
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.

Patent stripe

No patent data available for this compound.