CID 3040345

1h-naphtho(2,1-b)pyran-1-one, 3-(dibutylamino)-

Structural Information

Molecular Formula

C₂₁H₂₅NO₂

SMILES

CCCCN(CCCC)C1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32

InChI

InChI=1S/C21H25NO2/c1-3-5-13-22(14-6-4-2)20-15-18(23)21-17-10-8-7-9-16(17)11-12-19(21)24-20/h7-12,15H,3-6,13-14H2,1-2H3

InChIKey

BYOAXAKOHVSYJZ-UHFFFAOYSA-N

Compound name

3-(dibutylamino)benzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.18854 Da
Monoisotopic Mass: 5.6
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]+	324.195816	178.9
[M+Na]+	346.177758	187.1
[M-H]-	322.181264	186.1
[M+NH4]+	341.222363	194.6
[M+K]+	362.151698	183.6
[M+H-H2O]+	306.185800	170.1
[M+HCOO]-	368.186741	201.4
[M+CH3COO]-	382.202391	217.3
[M+Na-2H]-	344.163206	185.8
[M]+	323.18799142	186.1
[M]-	323.18908858	186.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.