CID 463101

Vuf-8827

Structural Information

Molecular Formula

C₁₉H₁₃N₃O

SMILES

C1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC4=C3N=CC=C4)C=C2

InChI

InChI=1S/C19H13N3O/c23-19(15-5-2-1-3-6-15)22-16-11-10-14-9-8-13-7-4-12-20-17(13)18(14)21-16/h1-12H,(H,21,22,23)

InChIKey

IMYKVLLBPSJPGB-UHFFFAOYSA-N

Compound name

N-(1,10-phenanthrolin-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 299.10587 Da
Monoisotopic Mass: 3.6
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]+	300.11315	167.7
[M+Na]+	322.09509	176.7
[M-H]-	298.09859	173.6
[M+NH4]+	317.13969	181.2
[M+K]+	338.06903	169.9
[M+H-H2O]+	282.10313	157.1
[M+HCOO]-	344.10407	188.7
[M+CH3COO]-	358.11972	178.7
[M+Na-2H]-	320.08054	178.4
[M]+	299.10532	168.2
[M]-	299.10642	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe