CID 44418331

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

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

385.1842 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.191476 196.5
[M+Na]+ 408.173418 204.9
[M-H]- 384.176924 204.6
[M+NH4]+ 403.218023 209.2
[M+K]+ 424.147358 196.7
[M+H-H2O]+ 368.181460 185.3
[M+HCOO]- 430.182401 216.7
[M+CH3COO]- 444.198051 206.4
[M+Na-2H]- 406.158866 196.5
[M]+ 385.18365142 198.8
[M]- 385.18474858 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