CID 3078756

Brn 5994547

Structural Information

Molecular Formula

C₂₀H₁₈ClNO₃

SMILES

C1COCCN1C2C(=CC3=C(O2)C=CC(=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H18ClNO3/c21-16-6-7-18-15(12-16)13-17(19(23)14-4-2-1-3-5-14)20(25-18)22-8-10-24-11-9-22/h1-7,12-13,20H,8-11H2

InChIKey

VKIQYQWRSVENSH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.09753 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]+	356.104806	183.1
[M+Na]+	378.086748	189.2
[M-H]-	354.090254	192.2
[M+NH4]+	373.131353	192.7
[M+K]+	394.060688	185.6
[M+H-H2O]+	338.094790	172.9
[M+HCOO]-	400.095731	192.5
[M+CH3COO]-	414.111381	192.4
[M+Na-2H]-	376.072196	186.4
[M]+	355.09698142	182.6
[M]-	355.09807858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.