CID 2771829

2-(3,4,5-trimethoxyphenyl)piperazine

Structural Information

Molecular Formula
C13H20N2O3
SMILES
COC1=CC(=CC(=C1OC)OC)C2CNCCN2
InChI
InChI=1S/C13H20N2O3/c1-16-11-6-9(10-8-14-4-5-15-10)7-12(17-2)13(11)18-3/h6-7,10,14-15H,4-5,8H2,1-3H3
InChIKey
SZZIGSBHEDAVBX-UHFFFAOYSA-N
Compound name
2-(3,4,5-trimethoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

252.1474 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.154676 159.5
[M+Na]+ 275.136618 165.1
[M-H]- 251.140124 160.2
[M+NH4]+ 270.181223 172.5
[M+K]+ 291.110558 161.7
[M+H-H2O]+ 235.144660 151.0
[M+HCOO]- 297.145601 174.8
[M+CH3COO]- 311.161251 190.1
[M+Na-2H]- 273.122066 162.0
[M]+ 252.14685142 156.7
[M]- 252.14794858 156.7
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