CID 200790

2725-15-7

Structural Information

Molecular Formula
C20H26N2O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3)O
InChI
InChI=1S/C20H26N2O3/c1-24-19-9-7-17(8-10-19)22-13-11-21(12-14-22)15-18(23)16-25-20-5-3-2-4-6-20/h2-10,18,23H,11-16H2,1H3
InChIKey
ZNKPGVIGPRQBRP-UHFFFAOYSA-N
Compound name
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

342.19434 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 184.6
[M+Na]+ 365.18356 197.5
[M+NH4]+ 360.22816 191.4
[M+K]+ 381.15750 190.0
[M-H]- 341.18706 189.0
[M+Na-2H]- 363.16901 192.5
[M]+ 342.19379 187.6
[M]- 342.19489 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe