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

408
Patents

252.1474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 159.2
[M+Na]+ 275.13662 171.2
[M+NH4]+ 270.18122 166.0
[M+K]+ 291.11056 165.3
[M-H]- 251.14012 161.2
[M+Na-2H]- 273.12207 164.8
[M]+ 252.14685 161.3
[M]- 252.14795 161.3
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

patents stripe