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]+ 401.24348 200.6
[M+Na]+ 423.22542 205.3
[M-H]- 399.22892 206.5
[M+NH4]+ 418.27002 208.5
[M+K]+ 439.19936 201.5
[M+H-H2O]+ 383.23346 188.4
[M+HCOO]- 445.23440 216.6
[M+CH3COO]- 459.25005 225.1
[M+Na-2H]- 421.21087 199.6
[M]+ 400.23565 204.1
[M]- 400.23675 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.