CID 3015428

28712-30-3

Structural Information

Molecular Formula

C₂₁H₂₆N₂O₃

SMILES

CN(C)CCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCCN(C)C

InChI

InChI=1S/C21H26N2O3/c1-22(2)9-11-25-15-5-7-17-18-8-6-16(26-12-10-23(3)4)14-20(18)21(24)19(17)13-15/h5-8,13-14H,9-12H2,1-4H3

InChIKey

WVGDOXLWDJMWGP-UHFFFAOYSA-N

Compound name

2,7-bis[2-(dimethylamino)ethoxy]fluoren-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 354.19434 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]+	355.201616	186.5
[M+Na]+	377.183558	193.1
[M-H]-	353.187064	194.4
[M+NH4]+	372.228163	204.3
[M+K]+	393.157498	191.1
[M+H-H2O]+	337.191600	178.4
[M+HCOO]-	399.192541	210.9
[M+CH3COO]-	413.208191	228.8
[M+Na-2H]-	375.169006	188.6
[M]+	354.19379142	194.9
[M]-	354.19488858	194.9

Literature stripe

literature stripe

Patent stripe

patents stripe