CID 722210

99117-21-2

Structural Information

Molecular Formula

C₂₀H₁₈N₂O₂

SMILES

C1CN(CC2=C(C3=CC=CC=C3N=C21)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N2O2/c23-20(24)19-15-8-4-5-9-17(15)21-18-10-11-22(13-16(18)19)12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24)

InChIKey

WWVSDQYFRSUJAZ-UHFFFAOYSA-N

Compound name

2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 318.13684 Da
Monoisotopic Mass: 0.8
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]+	319.144116	175.1
[M+Na]+	341.126058	181.6
[M-H]-	317.129564	178.7
[M+NH4]+	336.170663	187.3
[M+K]+	357.099998	175.1
[M+H-H2O]+	301.134100	164.6
[M+HCOO]-	363.135041	189.1
[M+CH3COO]-	377.150691	184.1
[M+Na-2H]-	339.111506	180.3
[M]+	318.13629142	172.3
[M]-	318.13738858	172.3

Literature stripe

literature stripe

Patent stripe

patents stripe