CID 57501498

1364933-54-9

Structural Information

Molecular Formula
C21H28FNO
SMILES
CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCCCF)C
InChI
InChI=1S/C21H28FNO/c1-20(2)19(21(20,3)4)18(24)16-14-23(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,19H,5,8-9,12-13H2,1-4H3
InChIKey
PXLDPUUMIHVLEC-UHFFFAOYSA-N
Compound name
[1-(5-fluoropentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

35
References

40
Patents

329.21548 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.22276 181.4
[M+Na]+ 352.20470 195.0
[M+NH4]+ 347.24930 191.9
[M+K]+ 368.17864 186.5
[M-H]- 328.20820 190.1
[M+Na-2H]- 350.19015 190.9
[M]+ 329.21493 187.3
[M]- 329.21603 187.3
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