CID 265849

7-(dimethylamino)-3,4-benzocoumarin

Structural Information

Molecular Formula

C₁₅H₁₃NO₂

SMILES

CN(C)C1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C15H13NO2/c1-16(2)10-7-8-12-11-5-3-4-6-13(11)15(17)18-14(12)9-10/h3-9H,1-2H3

InChIKey

BEMAPOPZFOZVDQ-UHFFFAOYSA-N

Compound name

3-(dimethylamino)benzo[c]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 239.09464 Da
Monoisotopic Mass: 3.2
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]+	240.101916	149.6
[M+Na]+	262.083858	160.6
[M-H]-	238.087364	158.2
[M+NH4]+	257.128463	168.9
[M+K]+	278.057798	158.6
[M+H-H2O]+	222.091900	142.3
[M+HCOO]-	284.092841	174.4
[M+CH3COO]-	298.108491	164.2
[M+Na-2H]-	260.069306	160.1
[M]+	239.09409142	155.0
[M]-	239.09518858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe