CID 3046557

62367-89-9

Structural Information

Molecular Formula

C₂₀H₁₉NO₂

SMILES

CCC(C(=O)C)C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO2/c1-3-15(13(2)22)20(23)18-16-11-7-8-12-17(16)21-19(18)14-9-5-4-6-10-14/h4-12,15,21H,3H2,1-2H3

InChIKey

AQWLYHINRNMLPB-UHFFFAOYSA-N

Compound name

2-ethyl-1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.14157 Da
Monoisotopic Mass: 4.2
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]+	306.148846	173.2
[M+Na]+	328.130788	180.3
[M-H]-	304.134294	178.4
[M+NH4]+	323.175393	188.5
[M+K]+	344.104728	174.8
[M+H-H2O]+	288.138830	165.3
[M+HCOO]-	350.139771	192.5
[M+CH3COO]-	364.155421	204.7
[M+Na-2H]-	326.116236	174.0
[M]+	305.14102142	174.4
[M]-	305.14211858	174.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.