CID 58218

101221-64-1

Structural Information

Molecular Formula
C24H34FNO
SMILES
C1CCC2CC3(CCC2C1)CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H34FNO/c25-22-9-7-20(8-10-22)23(27)6-3-15-26-16-13-24(14-17-26)12-11-19-4-1-2-5-21(19)18-24/h7-10,19,21H,1-6,11-18H2
InChIKey
RRULLBAEGWYZHL-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine]-1'-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.26245 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.26973 195.8
[M+Na]+ 394.25167 195.8
[M-H]- 370.25517 199.0
[M+NH4]+ 389.29627 208.3
[M+K]+ 410.22561 189.5
[M+H-H2O]+ 354.25971 183.5
[M+HCOO]- 416.26065 202.8
[M+CH3COO]- 430.27630 201.0
[M+Na-2H]- 392.23712 193.4
[M]+ 371.26190 183.6
[M]- 371.26300 183.6
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.