CID 118449872

Chembl4877104

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.11354	163.4
[M+Na]+	299.09548	180.8
[M+NH4]+	294.14008	172.8
[M+K]+	315.06942	172.7
[M-H]-	275.09898	167.5
[M+Na-2H]-	297.08093	172.4
[M]+	276.10571	167.3
[M]-	276.10681	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe