CID 373945

Nsc650977

Structural Information

Molecular Formula

C₁₉H₁₄N₂

SMILES

C=CC1=C2C3=CC=CC=C3NC2=NC=C1C4=CC=CC=C4

InChI

InChI=1S/C19H14N2/c1-2-14-16(13-8-4-3-5-9-13)12-20-19-18(14)15-10-6-7-11-17(15)21-19/h2-12H,1H2,(H,20,21)

InChIKey

ROLHPJCFNDUCCY-UHFFFAOYSA-N

Compound name

4-ethenyl-3-phenyl-9H-pyrido[2,3-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.1157 Da
Monoisotopic Mass: 5.1
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]+	271.12298	162.9
[M+Na]+	293.10492	173.8
[M-H]-	269.10842	168.2
[M+NH4]+	288.14952	179.8
[M+K]+	309.07886	165.2
[M+H-H2O]+	253.11296	154.0
[M+HCOO]-	315.11390	183.3
[M+CH3COO]-	329.12955	174.9
[M+Na-2H]-	291.09037	169.6
[M]+	270.11515	163.0
[M]-	270.11625	163.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.