CID 224107

139263-33-5

Structural Information

Molecular Formula

C₁₇H₁₇NO

SMILES

CCN(CC)C1=CC2=C(C=C1)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H17NO/c1-3-18(4-2)12-9-10-14-13-7-5-6-8-15(13)17(19)16(14)11-12/h5-11H,3-4H2,1-2H3

InChIKey

GAHRNNJNTXOUGL-UHFFFAOYSA-N

Compound name

2-(diethylamino)fluoren-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 251.13101 Da
Monoisotopic Mass: 4.5
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]+	252.13829	157.7
[M+Na]+	274.12023	166.6
[M-H]-	250.12373	164.8
[M+NH4]+	269.16483	179.5
[M+K]+	290.09417	162.6
[M+H-H2O]+	234.12827	151.1
[M+HCOO]-	296.12921	181.9
[M+CH3COO]-	310.14486	203.2
[M+Na-2H]-	272.10568	162.7
[M]+	251.13046	161.0
[M]-	251.13156	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe