CID 11971037

Brn 4561370

Structural Information

Molecular Formula
C22H26N2O3
SMILES
CC1=COC2=C1C(=CC=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4)O
InChI
InChI=1S/C22H26N2O3/c1-17-15-26-20-8-5-9-21(22(17)20)27-16-19(25)14-23-10-12-24(13-11-23)18-6-3-2-4-7-18/h2-9,15,19,25H,10-14,16H2,1H3
InChIKey
LQYACPKWGOTSML-UHFFFAOYSA-N
Compound name
1-[(3-methyl-1-benzofuran-4-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 189.3
[M+Na]+ 389.18356 203.4
[M+NH4]+ 384.22816 196.6
[M+K]+ 405.15750 197.6
[M-H]- 365.18706 195.5
[M+Na-2H]- 387.16901 196.2
[M]+ 366.19379 193.1
[M]- 366.19489 193.1
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.