CID 792457

1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C15H24N2O3/c1-16-7-9-17(10-8-16)11-12-5-6-13(18-2)15(20-4)14(12)19-3/h5-6H,7-11H2,1-4H3
InChIKey
SQQDLCAQLUXIPC-UHFFFAOYSA-N
Compound name
1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

280.17868 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.18596 167.5
[M+Na]+ 303.16790 180.1
[M+NH4]+ 298.21250 174.4
[M+K]+ 319.14184 173.5
[M-H]- 279.17140 170.0
[M+Na-2H]- 301.15335 173.0
[M]+ 280.17813 169.9
[M]- 280.17923 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.