CID 14805775

Gravacridonol

Structural Information

Molecular Formula

C₁₉H₁₇NO₄

SMILES

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

InChI

InChI=1S/C19H17NO4/c1-10(9-21)15-7-12-16(24-15)8-14(22)17-18(12)20(2)13-6-4-3-5-11(13)19(17)23/h3-6,8,15,21-22H,1,7,9H2,2H3

InChIKey

LTIJMFZBJZDNOD-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.11575 Da
Monoisotopic Mass: 3.4
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]+	324.123026	173.5
[M+Na]+	346.104968	184.8
[M-H]-	322.108474	177.9
[M+NH4]+	341.149573	189.3
[M+K]+	362.078908	179.8
[M+H-H2O]+	306.113010	166.9
[M+HCOO]-	368.113951	189.3
[M+CH3COO]-	382.129601	185.0
[M+Na-2H]-	344.090416	177.1
[M]+	323.11520142	177.5
[M]-	323.11629858	177.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.