CID 453206

Dihydroacronycine

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

CC1(CCC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C

InChI

InChI=1S/C20H21NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-8,11H,9-10H2,1-4H3

InChIKey

KUCGZVVCEUHLAY-UHFFFAOYSA-N

Compound name

6-methoxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 323.15213 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]+	324.159406	175.7
[M+Na]+	346.141348	187.9
[M-H]-	322.144854	182.3
[M+NH4]+	341.185953	193.1
[M+K]+	362.115288	183.9
[M+H-H2O]+	306.149390	166.3
[M+HCOO]-	368.150331	192.4
[M+CH3COO]-	382.165981	187.8
[M+Na-2H]-	344.126796	183.3
[M]+	323.15158142	181.2
[M]-	323.15267858	181.2

Literature stripe

literature stripe

Patent stripe

patents stripe