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 189.5
[M+Na]+ 391.17922 196.1
[M-H]- 367.18272 195.2
[M+NH4]+ 386.22382 199.5
[M+K]+ 407.15316 190.5
[M+H-H2O]+ 351.18726 178.4
[M+HCOO]- 413.18820 203.2
[M+CH3COO]- 427.20385 198.1
[M+Na-2H]- 389.16467 188.9
[M]+ 368.18945 187.9
[M]- 368.19055 187.9
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.