CID 3044961

K 9894

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

CN(C)C1=CC(=O)C2=C(O1)C=CC3=C2C=C(C=C3)OC

InChI

InChI=1S/C16H15NO3/c1-17(2)15-9-13(18)16-12-8-11(19-3)6-4-10(12)5-7-14(16)20-15/h4-9H,1-3H3

InChIKey

AGJNJTJYUHDGBQ-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-9-methoxybenzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.1052 Da
Monoisotopic Mass: 3.1
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]+	270.11248	157.5
[M+Na]+	292.09442	174.4
[M+NH4]+	287.13902	166.9
[M+K]+	308.06836	166.7
[M-H]-	268.09792	163.7
[M+Na-2H]-	290.07987	165.4
[M]+	269.10465	161.9
[M]-	269.10575	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe