CID 3069809

4-(2-methoxyphenyl)-alpha-((8-quinolinyloxy)methyl)-1-piperazineethanol

Structural Information

Molecular Formula
C23H27N3O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=C3N=CC=C4)O
InChI
InChI=1S/C23H27N3O3/c1-28-21-9-3-2-8-20(21)26-14-12-25(13-15-26)16-19(27)17-29-22-10-4-6-18-7-5-11-24-23(18)22/h2-11,19,27H,12-17H2,1H3
InChIKey
WXHMERXJWNMLKX-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinolin-8-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

393.20523 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 196.6
[M+Na]+ 416.19445 200.0
[M-H]- 392.19795 200.0
[M+NH4]+ 411.23905 202.6
[M+K]+ 432.16839 194.2
[M+H-H2O]+ 376.20249 183.6
[M+HCOO]- 438.20343 208.1
[M+CH3COO]- 452.21908 202.9
[M+Na-2H]- 414.17990 198.7
[M]+ 393.20468 194.4
[M]- 393.20578 194.4
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