CID 51200

Nafimidone

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)CN3C=CN=C3

InChI

InChI=1S/C15H12N2O/c18-15(10-17-8-7-16-11-17)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11H,10H2

InChIKey

ITPVLJQRUQVNSD-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-1-naphthalen-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 25
References: 305
Patents: 236.09496 Da
Monoisotopic Mass: 2.8
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]+	237.102236	151.8
[M+Na]+	259.084178	161.2
[M-H]-	235.087684	157.2
[M+NH4]+	254.128783	169.3
[M+K]+	275.058118	156.3
[M+H-H2O]+	219.092220	143.0
[M+HCOO]-	281.093161	174.6
[M+CH3COO]-	295.108811	164.7
[M+Na-2H]-	257.069626	158.6
[M]+	236.09441142	153.6
[M]-	236.09550858	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe