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]+ 295.201616 171.9
[M+Na]+ 317.183558 178.0
[M-H]- 293.187064 175.2
[M+NH4]+ 312.228163 184.9
[M+K]+ 333.157498 175.6
[M+H-H2O]+ 277.191600 162.4
[M+HCOO]- 339.192541 189.1
[M+CH3COO]- 353.208191 205.1
[M+Na-2H]- 315.169006 173.0
[M]+ 294.19379142 174.2
[M]- 294.19488858 174.2
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.