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]+ 295.12886 165.3
[M+Na]+ 317.11080 171.7
[M-H]- 293.11430 169.7
[M+NH4]+ 312.15540 176.3
[M+K]+ 333.08474 171.2
[M+H-H2O]+ 277.11884 156.2
[M+HCOO]- 339.11978 181.4
[M+CH3COO]- 353.13543 200.8
[M+Na-2H]- 315.09625 166.9
[M]+ 294.12103 166.6
[M]- 294.12213 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.