CID 3049537

64966-24-1

Structural Information

Molecular Formula
C23H32N2O5
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)CC(COC3=CC=CC=C3)O)OC)OC
InChI
InChI=1S/C23H32N2O5/c1-27-21-10-9-18(22(28-2)23(21)29-3)15-24-11-13-25(14-12-24)16-19(26)17-30-20-7-5-4-6-8-20/h4-10,19,26H,11-17H2,1-3H3
InChIKey
XAWVEPVQIOQHPG-UHFFFAOYSA-N
Compound name
1-phenoxy-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

416.2311 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.23838 203.5
[M+Na]+ 439.22032 215.4
[M+NH4]+ 434.26492 208.5
[M+K]+ 455.19426 208.8
[M-H]- 415.22382 206.9
[M+Na-2H]- 437.20577 209.2
[M]+ 416.23055 205.9
[M]- 416.23165 205.9
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