CID 52825

73962-18-2

Structural Information

Molecular Formula
C23H26FNO3
SMILES
COC1=CC=CC2=C1OCC23CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H26FNO3/c1-27-21-6-2-4-19-22(21)28-16-23(19)11-14-25(15-12-23)13-3-5-20(26)17-7-9-18(24)10-8-17/h2,4,6-10H,3,5,11-16H2,1H3
InChIKey
PFZIVANDMFBDEU-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(7-methoxyspiro[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

383.18967 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19695 193.9
[M+Na]+ 406.17889 199.4
[M-H]- 382.18239 200.4
[M+NH4]+ 401.22349 207.4
[M+K]+ 422.15283 195.0
[M+H-H2O]+ 366.18693 183.4
[M+HCOO]- 428.18787 207.6
[M+CH3COO]- 442.20352 202.5
[M+Na-2H]- 404.16434 193.7
[M]+ 383.18912 192.3
[M]- 383.19022 192.3
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.