CID 3070230

Piperazine, 1-methyl-4-(2-(3,4,5-trimethoxyphenyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CN1CCN(CC1)CCC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C16H26N2O3/c1-17-7-9-18(10-8-17)6-5-13-11-14(19-2)16(21-4)15(12-13)20-3/h11-12H,5-10H2,1-4H3
InChIKey
YHFIBOIUDOXFTP-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.19434 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.20162 172.0
[M+Na]+ 317.18356 184.3
[M+NH4]+ 312.22816 178.7
[M+K]+ 333.15750 177.5
[M-H]- 293.18706 174.4
[M+Na-2H]- 315.16901 177.2
[M]+ 294.19379 174.3
[M]- 294.19489 174.3
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.