CID 44418355

(5-(4-fluorophenyl)-1-pentyl-1h-pyrrol-3-yl)(naphthalen-1-yl)methanone

Structural Information

Molecular Formula
C26H24FNO
SMILES
CCCCCN1C=C(C=C1C2=CC=C(C=C2)F)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H24FNO/c1-2-3-6-16-28-18-21(17-25(28)20-12-14-22(27)15-13-20)26(29)24-11-7-9-19-8-4-5-10-23(19)24/h4-5,7-15,17-18H,2-3,6,16H2,1H3
InChIKey
PJNACIYIFHTDCK-UHFFFAOYSA-N
Compound name
[5-(4-fluorophenyl)-1-pentylpyrrol-3-yl]-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

385.1842 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19148 196.5
[M+Na]+ 408.17342 204.9
[M-H]- 384.17692 204.6
[M+NH4]+ 403.21802 209.2
[M+K]+ 424.14736 196.7
[M+H-H2O]+ 368.18146 185.3
[M+HCOO]- 430.18240 216.7
[M+CH3COO]- 444.19805 206.4
[M+Na-2H]- 406.15887 196.5
[M]+ 385.18365 198.8
[M]- 385.18475 198.8
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