CID 3057137

73962-16-0

Structural Information

Molecular Formula
C23H24FNO4
SMILES
COC1=CC=CC2=C1OC(=O)C23CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H24FNO4/c1-28-20-6-2-4-18-21(20)29-22(27)23(18)11-14-25(15-12-23)13-3-5-19(26)16-7-9-17(24)10-8-16/h2,4,6-10H,3,5,11-15H2,1H3
InChIKey
KUKHGJDKAVQRTQ-UHFFFAOYSA-N
Compound name
1'-[4-(4-fluorophenyl)-4-oxobutyl]-7-methoxyspiro[1-benzofuran-3,4'-piperidine]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.16895 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17623 195.6
[M+Na]+ 420.15817 202.0
[M-H]- 396.16167 202.5
[M+NH4]+ 415.20277 208.6
[M+K]+ 436.13211 197.9
[M+H-H2O]+ 380.16621 185.3
[M+HCOO]- 442.16715 209.6
[M+CH3COO]- 456.18280 221.3
[M+Na-2H]- 418.14362 195.0
[M]+ 397.16840 195.1
[M]- 397.16950 195.1
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.