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
8
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 177.3
[M+Na]+ 352.20470 188.7
[M-H]- 328.20820 183.4
[M+NH4]+ 347.24930 192.7
[M+K]+ 368.17864 183.3
[M+H-H2O]+ 312.21274 170.5
[M+HCOO]- 374.21368 196.4
[M+CH3COO]- 388.22933 215.7
[M+Na-2H]- 350.19015 178.8
[M]+ 329.21493 185.1
[M]- 329.21603 185.1
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