CID 368197

Nsc638625

Structural Information

Molecular Formula

C₂₀H₁₇N₃

SMILES

C1CNC(C2=C1NC=N2)C3=CC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C20H17N3/c1-2-6-14-13(5-1)11-17(16-8-4-3-7-15(14)16)19-20-18(9-10-21-19)22-12-23-20/h1-8,11-12,19,21H,9-10H2,(H,22,23)

InChIKey

CBYUYCTYGJQFGR-UHFFFAOYSA-N

Compound name

4-phenanthren-9-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.14224 Da
Monoisotopic Mass: 3.7
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]+	300.149516	169.0
[M+Na]+	322.131458	177.8
[M-H]-	298.134964	171.7
[M+NH4]+	317.176063	183.1
[M+K]+	338.105398	168.2
[M+H-H2O]+	282.139500	158.8
[M+HCOO]-	344.140441	182.7
[M+CH3COO]-	358.156091	178.4
[M+Na-2H]-	320.116906	175.3
[M]+	299.14169142	164.7
[M]-	299.14278858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.