CID 3074330

1-(2-fluorobenzyl)-3-(2-methylphenyl)-1,8-naphthyridin-2(1h)-one

Structural Information

Molecular Formula

C₂₂H₁₇FN₂O

SMILES

CC1=CC=CC=C1C2=CC3=C(N=CC=C3)N(C2=O)CC4=CC=CC=C4F

InChI

InChI=1S/C22H17FN2O/c1-15-7-2-4-10-18(15)19-13-16-9-6-12-24-21(16)25(22(19)26)14-17-8-3-5-11-20(17)23/h2-13H,14H2,1H3

InChIKey

ATEYLHJOOGUBSY-UHFFFAOYSA-N

Compound name

1-[(2-fluorophenyl)methyl]-3-(2-methylphenyl)-1,8-naphthyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 344.13248 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]+	345.139756	184.1
[M+Na]+	367.121698	194.6
[M-H]-	343.125204	191.1
[M+NH4]+	362.166303	195.4
[M+K]+	383.095638	186.4
[M+H-H2O]+	327.129740	171.5
[M+HCOO]-	389.130681	202.9
[M+CH3COO]-	403.146331	194.5
[M+Na-2H]-	365.107146	188.6
[M]+	344.13193142	184.2
[M]-	344.13302858	184.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe