CID 3044956

1h-naphtho(2,1-b)pyran-1-one, 3-(dipropylamino)-5-methoxy-

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

CCCN(CCC)C1=CC(=O)C2=C(O1)C(=CC3=CC=CC=C32)OC

InChI

InChI=1S/C20H23NO3/c1-4-10-21(11-5-2)18-13-16(22)19-15-9-7-6-8-14(15)12-17(23-3)20(19)24-18/h6-9,12-13H,4-5,10-11H2,1-3H3

InChIKey

LDHXGNNMBQFDSZ-UHFFFAOYSA-N

Compound name

3-(dipropylamino)-5-methoxybenzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 4.9
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]+	326.175076	177.5
[M+Na]+	348.157018	186.9
[M-H]-	324.160524	185.3
[M+NH4]+	343.201623	193.3
[M+K]+	364.130958	184.4
[M+H-H2O]+	308.165060	168.8
[M+HCOO]-	370.166001	200.5
[M+CH3COO]-	384.181651	217.7
[M+Na-2H]-	346.142466	184.4
[M]+	325.16725142	186.2
[M]-	325.16834858	186.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe