CID 211970

23779-75-1

Structural Information

Molecular Formula
C23H32N2O4
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H32N2O4/c1-26-20-10-6-5-9-19(20)25-14-12-24(13-15-25)11-7-8-18-16-21(27-2)23(29-4)22(17-18)28-3/h5-6,9-10,16-17H,7-8,11-15H2,1-4H3
InChIKey
VDUSHPLJNSVDLQ-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2362 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.243476 200.6
[M+Na]+ 423.225418 205.3
[M-H]- 399.228924 206.5
[M+NH4]+ 418.270023 208.5
[M+K]+ 439.199358 201.5
[M+H-H2O]+ 383.233460 188.4
[M+HCOO]- 445.234401 216.6
[M+CH3COO]- 459.250051 225.1
[M+Na-2H]- 421.210866 199.6
[M]+ 400.23565142 204.1
[M]- 400.23674858 204.1
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.