CID 3051891

1-piperazinecarboxylic acid, 4-methyl-, 3,4,5-trimethoxyphenyl ester, monohydrochloride

Structural Information

Molecular Formula
C15H22N2O5
SMILES
CN1CCN(CC1)C(=O)OC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C15H22N2O5/c1-16-5-7-17(8-6-16)15(18)22-11-9-12(19-2)14(21-4)13(10-11)20-3/h9-10H,5-8H2,1-4H3
InChIKey
UWCRNBWAEZWZMZ-UHFFFAOYSA-N
Compound name
(3,4,5-trimethoxyphenyl) 4-methylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.15286 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16014 171.4
[M+Na]+ 333.14208 177.8
[M-H]- 309.14558 175.1
[M+NH4]+ 328.18668 183.6
[M+K]+ 349.11602 176.9
[M+H-H2O]+ 293.15012 162.1
[M+HCOO]- 355.15106 188.6
[M+CH3COO]- 369.16671 205.3
[M+Na-2H]- 331.12753 172.3
[M]+ 310.15231 174.9
[M]- 310.15341 174.9
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.