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 188.3
[M+Na]+ 389.18356 193.5
[M-H]- 365.18706 194.9
[M+NH4]+ 384.22816 198.0
[M+K]+ 405.15750 189.2
[M+H-H2O]+ 349.19160 177.8
[M+HCOO]- 411.19254 203.2
[M+CH3COO]- 425.20819 197.0
[M+Na-2H]- 387.16901 189.2
[M]+ 366.19379 188.5
[M]- 366.19489 188.5
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.