CID 134884

5-deap-psoralen

Structural Information

Molecular Formula

C₁₈H₂₁NO₄

SMILES

CCN(CC)CCCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3

InChI

InChI=1S/C18H21NO4/c1-3-19(4-2)9-5-10-22-18-13-6-7-17(20)23-16(13)12-15-14(18)8-11-21-15/h6-8,11-12H,3-5,9-10H2,1-2H3

InChIKey

LINDGGDLUQLYSA-UHFFFAOYSA-N

Compound name

4-[3-(diethylamino)propoxy]furo[3,2-g]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 315.14706 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]+	316.154336	173.6
[M+Na]+	338.136278	182.9
[M-H]-	314.139784	182.1
[M+NH4]+	333.180883	190.1
[M+K]+	354.110218	182.3
[M+H-H2O]+	298.144320	166.4
[M+HCOO]-	360.145261	197.4
[M+CH3COO]-	374.160911	212.6
[M+Na-2H]-	336.121726	180.3
[M]+	315.14651142	184.1
[M]-	315.14760858	184.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.