CID 3040344

K 8402

Structural Information

Molecular Formula

C₁₉H₂₁NO₂

SMILES

CC(C)N(C1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32)C(C)C

InChI

InChI=1S/C19H21NO2/c1-12(2)20(13(3)4)18-11-16(21)19-15-8-6-5-7-14(15)9-10-17(19)22-18/h5-13H,1-4H3

InChIKey

VLUYDNMXTSQQIO-UHFFFAOYSA-N

Compound name

3-[di(propan-2-yl)amino]benzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.15723 Da
Monoisotopic Mass: 4.7
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]+	296.164506	169.4
[M+Na]+	318.146448	177.9
[M-H]-	294.149954	177.2
[M+NH4]+	313.191053	186.1
[M+K]+	334.120388	176.0
[M+H-H2O]+	278.154490	161.4
[M+HCOO]-	340.155431	190.6
[M+CH3COO]-	354.171081	213.2
[M+Na-2H]-	316.131896	175.2
[M]+	295.15668142	174.8
[M]-	295.15777858	174.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe