CID 3838765

1-(3,4,5-trimethoxyphenyl)piperazine

Structural Information

Molecular Formula
C13H20N2O3
SMILES
COC1=CC(=CC(=C1OC)OC)N2CCNCC2
InChI
InChI=1S/C13H20N2O3/c1-16-11-8-10(15-6-4-14-5-7-15)9-12(17-2)13(11)18-3/h8-9,14H,4-7H2,1-3H3
InChIKey
QSTMOHFZTDLSBZ-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

440
Patents

252.1474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.154676 158.9
[M+Na]+ 275.136618 165.0
[M-H]- 251.140124 161.0
[M+NH4]+ 270.181223 172.6
[M+K]+ 291.110558 162.4
[M+H-H2O]+ 235.144660 150.1
[M+HCOO]- 297.145601 175.7
[M+CH3COO]- 311.161251 192.5
[M+Na-2H]- 273.122066 161.9
[M]+ 252.14685142 158.0
[M]- 252.14794858 158.0
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