CID 5317837

Gravacridonediol methyl ether

Structural Information

Molecular Formula

C₂₀H₂₁NO₅

SMILES

CC(COC)(C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)O

InChI

InChI=1S/C20H21NO5/c1-20(24,10-25-3)16-8-12-15(26-16)9-14(22)17-18(12)21(2)13-7-5-4-6-11(13)19(17)23/h4-7,9,16,22,24H,8,10H2,1-3H3

InChIKey

YYTVGIBSAJVHGD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 355.14197 Da
Monoisotopic Mass: 2.8
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]+	356.149246	183.5
[M+Na]+	378.131188	194.3
[M-H]-	354.134694	187.8
[M+NH4]+	373.175793	198.0
[M+K]+	394.105128	190.6
[M+H-H2O]+	338.139230	177.0
[M+HCOO]-	400.140171	198.2
[M+CH3COO]-	414.155821	213.1
[M+Na-2H]-	376.116636	189.0
[M]+	355.14142142	190.0
[M]-	355.14251858	190.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.