CID 82763

3-phenylcinnoline

Structural Information

Molecular Formula

C₁₄H₁₀N₂

SMILES

C1=CC=C(C=C1)C2=CC3=CC=CC=C3N=N2

InChI

InChI=1S/C14H10N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-16-14/h1-10H

InChIKey

AJUMVVYEUXGKQU-UHFFFAOYSA-N

Compound name

3-phenylcinnoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 206.0844 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]+	207.09168	144.7
[M+Na]+	229.07362	162.7
[M+NH4]+	224.11822	155.1
[M+K]+	245.04756	153.0
[M-H]-	205.07712	150.4
[M+Na-2H]-	227.05907	156.9
[M]+	206.08385	149.2
[M]-	206.08495	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe