CID 5281842

Furofoline i

Structural Information

Molecular Formula

C₁₆H₁₁NO₃

SMILES

CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC=C4

InChI

InChI=1S/C16H11NO3/c1-17-11-5-3-2-4-9(11)16(19)14-12(18)8-13-10(15(14)17)6-7-20-13/h2-8,18H,1H3

InChIKey

ZFFUGPKCSIVPEI-UHFFFAOYSA-N

Compound name

5-hydroxy-11-methylfuro[2,3-c]acridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.07388 Da
Monoisotopic Mass: 3.7
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]+	266.08116	155.3
[M+Na]+	288.06310	170.1
[M-H]-	264.06660	162.1
[M+NH4]+	283.10770	174.5
[M+K]+	304.03704	165.4
[M+H-H2O]+	248.07114	148.7
[M+HCOO]-	310.07208	177.4
[M+CH3COO]-	324.08773	169.9
[M+Na-2H]-	286.04855	164.5
[M]+	265.07333	162.5
[M]-	265.07443	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe