CID 124518670

2365471-19-6

Structural Information

Molecular Formula

C₁₉H₁₉FN₂O

SMILES

C1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H19FN2O/c20-10-4-1-5-12-22-14-17(16-8-2-3-9-18(16)22)19(23)15-7-6-11-21-13-15/h2-3,6-9,11,13-14H,1,4-5,10,12H2

InChIKey

CNMQLCYLJPWHEW-UHFFFAOYSA-N

Compound name

[1-(5-fluoropentyl)indol-3-yl]-pyridin-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.14813 Da
Monoisotopic Mass: 3.6
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]+	311.155406	173.4
[M+Na]+	333.137348	181.9
[M-H]-	309.140854	176.9
[M+NH4]+	328.181953	188.0
[M+K]+	349.111288	175.5
[M+H-H2O]+	293.145390	162.9
[M+HCOO]-	355.146331	193.6
[M+CH3COO]-	369.161981	184.1
[M+Na-2H]-	331.122796	176.6
[M]+	310.14758142	175.9
[M]-	310.14867858	175.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.