CID 40205

52053-74-4

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

CCN(C)C1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32

InChI

InChI=1S/C16H15NO2/c1-3-17(2)15-10-13(18)16-12-7-5-4-6-11(12)8-9-14(16)19-15/h4-10H,3H2,1-2H3

InChIKey

LCXWECVLOZERBH-UHFFFAOYSA-N

Compound name

3-[ethyl(methyl)amino]benzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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]+	254.11756	154.5
[M+Na]+	276.09950	165.1
[M-H]-	252.10300	162.9
[M+NH4]+	271.14410	173.2
[M+K]+	292.07344	162.8
[M+H-H2O]+	236.10754	146.9
[M+HCOO]-	298.10848	178.9
[M+CH3COO]-	312.12413	168.7
[M+Na-2H]-	274.08495	164.5
[M]+	253.10973	160.2
[M]-	253.11083	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe