CID 5276834

8-hydroxy-2-methoxy-6-[(e)-prop-1-enoxy]-9a,10-dihydro-4ah-acridin-9-one

Structural Information

Molecular Formula

C₁₇H₁₇NO₄

SMILES

C/C=C/OC1=CC2=C(C(=C1)O)C(=O)C3C=C(C=CC3N2)OC

InChI

InChI=1S/C17H17NO4/c1-3-6-22-11-8-14-16(15(19)9-11)17(20)12-7-10(21-2)4-5-13(12)18-14/h3-9,12-13,18-19H,1-2H3/b6-3+

InChIKey

XWFGXGLCXXZBTL-ZZXKWVIFSA-N

Compound name

8-hydroxy-2-methoxy-6-[(E)-prop-1-enoxy]-9a,10-dihydro-4aH-acridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.11575 Da
Monoisotopic Mass: 3.2
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]+	300.123026	167.8
[M+Na]+	322.104968	176.3
[M-H]-	298.108474	169.2
[M+NH4]+	317.149573	182.8
[M+K]+	338.078908	170.9
[M+H-H2O]+	282.113010	160.4
[M+HCOO]-	344.113951	183.0
[M+CH3COO]-	358.129601	201.3
[M+Na-2H]-	320.090416	171.9
[M]+	299.11520142	168.2
[M]-	299.11629858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.