CID 3075650

Alpha-(3-ethyl-2-benzofuranyl)-4-(4-fluorophenyl)-1-piperazineethanol monohydrochloride

Structural Information

Molecular Formula
C22H25FN2O2
SMILES
CCC1=C(OC2=CC=CC=C21)C(CN3CCN(CC3)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C22H25FN2O2/c1-2-18-19-5-3-4-6-21(19)27-22(18)20(26)15-24-11-13-25(14-12-24)17-9-7-16(23)8-10-17/h3-10,20,26H,2,11-15H2,1H3
InChIKey
RJIWYXAEPLHQTI-UHFFFAOYSA-N
Compound name
1-(3-ethyl-1-benzofuran-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.19 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19728 191.6
[M+Na]+ 391.17922 205.4
[M+NH4]+ 386.22382 198.6
[M+K]+ 407.15316 199.2
[M-H]- 367.18272 196.7
[M+Na-2H]- 389.16467 197.6
[M]+ 368.18945 195.0
[M]- 368.19055 195.0
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.