CID 453207

Robustine, acetate

Structural Information

Molecular Formula

C₁₄H₁₁NO₄

SMILES

CC(=O)OC1=CC=CC2=C1N=C3C(=C2OC)C=CO3

InChI

InChI=1S/C14H11NO4/c1-8(16)19-11-5-3-4-9-12(11)15-14-10(6-7-18-14)13(9)17-2/h3-7H,1-2H3

InChIKey

FKOQHBJRGGZMML-UHFFFAOYSA-N

Compound name

(4-methoxyfuro[2,3-b]quinolin-8-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 257.06882 Da
Monoisotopic Mass: 2.6
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]+	258.07610	153.3
[M+Na]+	280.05804	164.8
[M-H]-	256.06154	159.4
[M+NH4]+	275.10264	171.9
[M+K]+	296.03198	163.3
[M+H-H2O]+	240.06608	146.6
[M+HCOO]-	302.06702	175.8
[M+CH3COO]-	316.08267	195.0
[M+Na-2H]-	278.04349	160.8
[M]+	257.06827	161.3
[M]-	257.06937	161.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.