CID 438523

Nsc642943

Structural Information

Molecular Formula

C₂₀H₁₇NO₃

SMILES

CCOC(=O)C1=NC2=C(C=C(C=C2)OC)C3=C1CC4=CC=CC=C43

InChI

InChI=1S/C20H17NO3/c1-3-24-20(22)19-16-10-12-6-4-5-7-14(12)18(16)15-11-13(23-2)8-9-17(15)21-19/h4-9,11H,3,10H2,1-2H3

InChIKey

QVGVPRHPKGQJCM-UHFFFAOYSA-N

Compound name

ethyl 2-methoxy-7H-indeno[2,1-c]quinoline-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.12085 Da
Monoisotopic Mass: 4.3
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]+	320.128126	175.0
[M+Na]+	342.110068	184.7
[M-H]-	318.113574	180.5
[M+NH4]+	337.154673	193.1
[M+K]+	358.084008	179.7
[M+H-H2O]+	302.118110	167.0
[M+HCOO]-	364.119051	194.1
[M+CH3COO]-	378.134701	186.7
[M+Na-2H]-	340.095516	179.5
[M]+	319.12030142	180.4
[M]-	319.12139858	180.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.