CID 3054618

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

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

CNC1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32

InChI

InChI=1S/C14H11NO2/c1-15-13-8-11(16)14-10-5-3-2-4-9(10)6-7-12(14)17-13/h2-8,15H,1H3

InChIKey

BRPRXHSBUHXHOX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.07898 Da
Monoisotopic Mass: 3.0
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]+	226.086256	144.4
[M+Na]+	248.068198	155.9
[M-H]-	224.071704	151.8
[M+NH4]+	243.112803	163.7
[M+K]+	264.042138	152.6
[M+H-H2O]+	208.076240	137.6
[M+HCOO]-	270.077181	169.1
[M+CH3COO]-	284.092831	159.0
[M+Na-2H]-	246.053646	156.4
[M]+	225.07843142	148.3
[M]-	225.07952858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe