CID 1224047

Piperazine, 1-(3,5-dimethoxy-4-hydroxybenzoyl)-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CN1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)O)OC
InChI
InChI=1S/C14H20N2O4/c1-15-4-6-16(7-5-15)14(18)10-8-11(19-2)13(17)12(9-10)20-3/h8-9,17H,4-7H2,1-3H3
InChIKey
XOAGJRLSUVCBMO-UHFFFAOYSA-N
Compound name
(4-hydroxy-3,5-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1423 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 165.3
[M+Na]+ 303.13152 176.8
[M+NH4]+ 298.17612 171.1
[M+K]+ 319.10546 172.1
[M-H]- 279.13502 166.4
[M+Na-2H]- 301.11697 169.6
[M]+ 280.14175 167.0
[M]- 280.14285 167.0
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

patents stripe