CID 9189

Phenanthridine

Structural Information

Molecular Formula

C₁₃H₉N

SMILES

C1=CC=C2C(=C1)C=NC3=CC=CC=C23

InChI

InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H

InChIKey

RDOWQLZANAYVLL-UHFFFAOYSA-N

Compound name

phenanthridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 128
References: 126195
Patents: 179.0735 Da
Monoisotopic Mass: 3.5
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]+	180.08078	134.0
[M+Na]+	202.06272	144.7
[M-H]-	178.06622	138.6
[M+NH4]+	197.10732	154.9
[M+K]+	218.03666	139.7
[M+H-H2O]+	162.07076	126.8
[M+HCOO]-	224.07170	157.1
[M+CH3COO]-	238.08735	148.3
[M+Na-2H]-	200.04817	147.0
[M]+	179.07295	135.1
[M]-	179.07405	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe