CID 57350

Brn 5571277

Structural Information

Molecular Formula

C₁₈H₁₄N₂O

SMILES

C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)CN4C=CN=C4

InChI

InChI=1S/C18H14N2O/c21-18(11-20-8-7-19-12-20)14-5-6-17-15(10-14)9-13-3-1-2-4-16(13)17/h1-8,10,12H,9,11H2

InChIKey

SUGPLOJKALVEBK-UHFFFAOYSA-N

Compound name

1-(9H-fluoren-2-yl)-2-imidazol-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 274.11063 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]+	275.11791	163.8
[M+Na]+	297.09985	172.9
[M-H]-	273.10335	170.3
[M+NH4]+	292.14445	182.6
[M+K]+	313.07379	167.3
[M+H-H2O]+	257.10789	155.4
[M+HCOO]-	319.10883	184.8
[M+CH3COO]-	333.12448	176.0
[M+Na-2H]-	295.08530	166.9
[M]+	274.11008	165.3
[M]-	274.11118	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe