CID 3058902

75786-57-1

Structural Information

Molecular Formula
C28H35FN2O2
SMILES
CCC(=O)N(C1CCN(C2C1CCCC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C28H35FN2O2/c1-2-28(33)31(23-9-4-3-5-10-23)26-18-20-30(25-12-7-6-11-24(25)26)19-8-13-27(32)21-14-16-22(29)17-15-21/h3-5,9-10,14-17,24-26H,2,6-8,11-13,18-20H2,1H3
InChIKey
URIFUIUJMWVYAY-UHFFFAOYSA-N
Compound name
N-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.26825 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.27553 214.2
[M+Na]+ 473.25747 224.5
[M+NH4]+ 468.30207 220.6
[M+K]+ 489.23141 215.9
[M-H]- 449.26097 219.1
[M+Na-2H]- 471.24292 219.4
[M]+ 450.26770 216.8
[M]- 450.26880 216.8
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.