CID 18969

3468-03-9

Structural Information

Molecular Formula

C₂₁H₂₁NO₄

SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO4/c1-14-18(23)16-10-7-11-17(21(24)25-13-12-22(2)3)20(16)26-19(14)15-8-5-4-6-9-15/h4-11H,12-13H2,1-3H3

InChIKey

PRZLKTDVUDUPOW-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 351.14706 Da
Monoisotopic Mass: 3.4
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]+	352.154336	183.7
[M+Na]+	374.136278	191.5
[M-H]-	350.139784	193.6
[M+NH4]+	369.180883	196.8
[M+K]+	390.110218	189.8
[M+H-H2O]+	334.144320	174.3
[M+HCOO]-	396.145261	206.0
[M+CH3COO]-	410.160911	220.8
[M+Na-2H]-	372.121726	187.4
[M]+	351.14651142	190.1
[M]-	351.14760858	190.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe