CID 215242

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

Structural Information

Molecular Formula

C₁₇H₁₅NO₂

SMILES

C1CCN(C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43

InChI

InChI=1S/C17H15NO2/c19-14-11-16(18-9-3-4-10-18)20-15-8-7-12-5-1-2-6-13(12)17(14)15/h1-2,5-8,11H,3-4,9-10H2

InChIKey

UJKBOTZAAHYQDF-UHFFFAOYSA-N

Compound name

3-pyrrolidin-1-ylbenzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.1103 Da
Monoisotopic Mass: 3.6
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]+	266.117576	157.3
[M+Na]+	288.099518	167.4
[M-H]-	264.103024	165.6
[M+NH4]+	283.144123	175.0
[M+K]+	304.073458	163.1
[M+H-H2O]+	248.107560	149.3
[M+HCOO]-	310.108501	177.9
[M+CH3COO]-	324.124151	170.4
[M+Na-2H]-	286.084966	164.1
[M]+	265.10975142	158.6
[M]-	265.11084858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe