CID 5494828

Citpressine ii

Structural Information

Molecular Formula

C₁₇H₁₇NO₅

SMILES

CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=C(C=C3)OC)OC

InChI

InChI=1S/C17H17NO5/c1-18-11-7-9(21-2)8-12(19)14(11)16(20)10-5-6-13(22-3)17(23-4)15(10)18/h5-8,19H,1-4H3

InChIKey

CHCYJKZBXNSGCG-UHFFFAOYSA-N

Compound name

1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 315.1107 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]+	316.11798	169.7
[M+Na]+	338.09992	182.6
[M-H]-	314.10342	174.3
[M+NH4]+	333.14452	185.4
[M+K]+	354.07386	179.2
[M+H-H2O]+	298.10796	161.7
[M+HCOO]-	360.10890	190.4
[M+CH3COO]-	374.12455	208.9
[M+Na-2H]-	336.08537	175.5
[M]+	315.11015	179.1
[M]-	315.11125	179.1

Literature stripe

literature stripe

Patent stripe

patents stripe