CID 65686

Moxicoumone

Structural Information

Molecular Formula

C₂₂H₃₀N₂O₆

SMILES

CC1=CC(=O)OC2=C1C(=CC(=C2)OCCN3CCOCC3)OCCN4CCOCC4

InChI

InChI=1S/C22H30N2O6/c1-17-14-21(25)30-20-16-18(28-12-6-23-2-8-26-9-3-23)15-19(22(17)20)29-13-7-24-4-10-27-11-5-24/h14-16H,2-13H2,1H3

InChIKey

KHVVROKBGPRWFA-UHFFFAOYSA-N

Compound name

4-methyl-5,7-bis(2-morpholin-4-ylethoxy)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 36
Patents: 418.2104 Da
Monoisotopic Mass: 1.1
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]+	419.217676	202.1
[M+Na]+	441.199618	205.2
[M-H]-	417.203124	209.7
[M+NH4]+	436.244223	205.3
[M+K]+	457.173558	205.1
[M+H-H2O]+	401.207660	189.5
[M+HCOO]-	463.208601	211.5
[M+CH3COO]-	477.224251	224.9
[M+Na-2H]-	439.185066	203.8
[M]+	418.20985142	203.2
[M]-	418.21094858	203.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe