CID 66570720

1354631-24-5

Structural Information

Molecular Formula
C25H24FNO
SMILES
CC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCCCCF
InChI
InChI=1S/C25H24FNO/c1-18-13-14-22(20-10-4-3-9-19(18)20)25(28)23-17-27(16-8-2-7-15-26)24-12-6-5-11-21(23)24/h3-6,9-14,17H,2,7-8,15-16H2,1H3
InChIKey
IGBHZHCGWLHBAE-UHFFFAOYSA-N
Compound name
[1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

16
Patents

373.1842 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.19148 193.7
[M+Na]+ 396.17342 202.6
[M-H]- 372.17692 199.6
[M+NH4]+ 391.21802 208.3
[M+K]+ 412.14736 194.5
[M+H-H2O]+ 356.18146 183.3
[M+HCOO]- 418.18240 212.7
[M+CH3COO]- 432.19805 203.7
[M+Na-2H]- 394.15887 194.8
[M]+ 373.18365 197.0
[M]- 373.18475 197.0
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