CID 118449872

2-(5-fluoro-7-methyl-1h-indol-3-yl)quinoline

Structural Information

Molecular Formula
C18H13FN2
SMILES
CC1=CC(=CC2=C1NC=C2C3=NC4=CC=CC=C4C=C3)F
InChI
InChI=1S/C18H13FN2/c1-11-8-13(19)9-14-15(10-20-18(11)14)17-7-6-12-4-2-3-5-16(12)21-17/h2-10,20H,1H3
InChIKey
BFMDJOMJCDYGGL-UHFFFAOYSA-N
Compound name
2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

276.10626 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11354 162.6
[M+Na]+ 299.09548 174.7
[M-H]- 275.09898 167.1
[M+NH4]+ 294.14008 179.7
[M+K]+ 315.06942 166.4
[M+H-H2O]+ 259.10352 153.2
[M+HCOO]- 321.10446 182.1
[M+CH3COO]- 335.12011 174.8
[M+Na-2H]- 297.08093 168.5
[M]+ 276.10571 162.6
[M]- 276.10681 162.6
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