CID 131083

129200-10-8

Structural Information

Molecular Formula
C23H30N2O6
SMILES
COC1=CC=C(C=C1)OC(=O)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H30N2O6/c1-27-18-5-7-19(8-6-18)31-22(26)16-25-11-9-24(10-12-25)15-17-13-20(28-2)23(30-4)21(14-17)29-3/h5-8,13-14H,9-12,15-16H2,1-4H3
InChIKey
RVYZAZTXLLAVGZ-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

6
Patents

430.2104 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.21768 204.7
[M+Na]+ 453.19962 217.0
[M+NH4]+ 448.24422 209.2
[M+K]+ 469.17356 210.9
[M-H]- 429.20312 208.0
[M+Na-2H]- 451.18507 210.3
[M]+ 430.20985 207.2
[M]- 430.21095 207.2
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