CID 3057139

73962-19-3

Structural Information

Molecular Formula
C22H24FNO3
SMILES
C1CN(CCC12COC3=C2C=CC=C3O)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H24FNO3/c23-17-8-6-16(7-9-17)19(25)5-2-12-24-13-10-22(11-14-24)15-27-21-18(22)3-1-4-20(21)26/h1,3-4,6-9,26H,2,5,10-15H2
InChIKey
WOLYGTIUSIMUBL-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(7-hydroxyspiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.174 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18128 189.3
[M+Na]+ 392.16322 194.8
[M-H]- 368.16672 194.7
[M+NH4]+ 387.20782 202.7
[M+K]+ 408.13716 189.9
[M+H-H2O]+ 352.17126 179.4
[M+HCOO]- 414.17220 201.8
[M+CH3COO]- 428.18785 197.7
[M+Na-2H]- 390.14867 189.3
[M]+ 369.17345 185.6
[M]- 369.17455 185.6
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.