CID 3044955

K 9905

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

CN(C)C1=CC(=O)C2=C(O1)C(=CC3=CC=CC=C32)OC

InChI

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

InChIKey

HJQITPWVVVVJPO-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-5-methoxybenzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	270.112476	157.9
[M+Na]+	292.094418	169.2
[M-H]-	268.097924	166.6
[M+NH4]+	287.139023	176.1
[M+K]+	308.068358	167.6
[M+H-H2O]+	252.102460	150.2
[M+HCOO]-	314.103401	182.4
[M+CH3COO]-	328.119051	205.8
[M+Na-2H]-	290.079866	167.2
[M]+	269.10465142	165.4
[M]-	269.10574858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.