CID 132992

Fce 28260

Structural Information

Molecular Formula
C28H35F3N2O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C4=CC=CC=C4)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C
InChI
InChI=1S/C28H35F3N2O2/c1-25-15-13-20-18(9-12-22-26(20,2)16-14-23(34)32-22)19(25)10-11-21(25)24(35)33-27(3,28(29,30)31)17-7-5-4-6-8-17/h4-8,14,16,18-22H,9-13,15H2,1-3H3,(H,32,34)(H,33,35)/t18-,19-,20-,21+,22+,25-,26+,27?/m0/s1
InChIKey
FAIZUAWLKOHMOP-ZOIXLQFFSA-N
Compound name
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

361
Patents

488.26508 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.27236 212.7
[M+Na]+ 511.25430 217.0
[M+NH4]+ 506.29890 219.6
[M+K]+ 527.22824 210.0
[M-H]- 487.25780 210.5
[M+Na-2H]- 509.23975 213.9
[M]+ 488.26453 212.5
[M]- 488.26563 212.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe