CID 198539

71839-14-0

Structural Information

Molecular Formula

C₁₉H₁₇N

SMILES

CN1CC=C2C(=C(C3=CC=CC=C23)C4=CC=CC=C4)C1

InChI

InChI=1S/C19H17N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-11H,12-13H2,1H3

InChIKey

MQQMLLHBOKGEBN-UHFFFAOYSA-N

Compound name

2-methyl-9-phenyl-1,3-dihydroindeno[2,1-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 259.1361 Da
Monoisotopic Mass: 2.9
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]+	260.143376	160.6
[M+Na]+	282.125318	169.6
[M-H]-	258.128824	167.8
[M+NH4]+	277.169923	179.9
[M+K]+	298.099258	163.0
[M+H-H2O]+	242.133360	152.2
[M+HCOO]-	304.134301	180.8
[M+CH3COO]-	318.149951	172.9
[M+Na-2H]-	280.110766	165.6
[M]+	259.13555142	159.7
[M]-	259.13664858	159.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.