CID 3041763

Brn 1165215

Structural Information

Molecular Formula

C₂₁H₂₄N₂O₄

SMILES

CN(C)C1=C(C(=O)C2=C(O1)C=CC3=C2C=C(C=C3)OC)CN4CCOCC4

InChI

InChI=1S/C21H24N2O4/c1-22(2)21-17(13-23-8-10-26-11-9-23)20(24)19-16-12-15(25-3)6-4-14(16)5-7-18(19)27-21/h4-7,12H,8-11,13H2,1-3H3

InChIKey

DFUXRALIEJSYGX-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-9-methoxy-2-(morpholin-4-ylmethyl)benzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 368.1736 Da
Monoisotopic Mass: 2.6
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]+	369.180876	188.9
[M+Na]+	391.162818	196.9
[M-H]-	367.166324	198.5
[M+NH4]+	386.207423	199.4
[M+K]+	407.136758	195.7
[M+H-H2O]+	351.170860	178.0
[M+HCOO]-	413.171801	206.2
[M+CH3COO]-	427.187451	199.4
[M+Na-2H]-	389.148266	194.3
[M]+	368.17305142	193.7
[M]-	368.17414858	193.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.