CID 3078754

Brn 5985691

Structural Information

Molecular Formula

C₂₀H₁₉NO₃

SMILES

C1COCCN1C2C(=CC3=CC=CC=C3O2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19NO3/c22-19(15-6-2-1-3-7-15)17-14-16-8-4-5-9-18(16)24-20(17)21-10-12-23-13-11-21/h1-9,14,20H,10-13H2

InChIKey

ZAGJCGPUGWCYQI-UHFFFAOYSA-N

Compound name

(2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 321.1365 Da
Monoisotopic Mass: 3.1
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]+	322.143776	175.2
[M+Na]+	344.125718	179.7
[M-H]-	320.129224	184.3
[M+NH4]+	339.170323	185.0
[M+K]+	360.099658	177.4
[M+H-H2O]+	304.133760	164.6
[M+HCOO]-	366.134701	189.3
[M+CH3COO]-	380.150351	184.7
[M+Na-2H]-	342.111166	179.9
[M]+	321.13595142	171.8
[M]-	321.13704858	171.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.