CID 3052513

68902-40-9

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

CC1=C2C(=CC3=CC=CC=C13)C(=O)C=C(O2)N(C)C

InChI

InChI=1S/C16H15NO2/c1-10-12-7-5-4-6-11(12)8-13-14(18)9-15(17(2)3)19-16(10)13/h4-9H,1-3H3

InChIKey

CDOTXBDXUGPLCZ-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-10-methylbenzo[g]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.11028 Da
Monoisotopic Mass: 3.5
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]+	254.117556	154.6
[M+Na]+	276.099498	166.1
[M-H]-	252.103004	163.4
[M+NH4]+	271.144103	173.6
[M+K]+	292.073438	163.8
[M+H-H2O]+	236.107540	147.2
[M+HCOO]-	298.108481	179.0
[M+CH3COO]-	312.124131	169.1
[M+Na-2H]-	274.084946	163.8
[M]+	253.10973142	160.7
[M]-	253.11082858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.