CID 12885627

Dtxsid90237303

Structural Information

Molecular Formula

C₂₀H₂₃N

SMILES

CC1=CC(=CC=C1)[C@H]2[C@H]3CCCN([C@H]3C4=CC=CC=C24)C

InChI

InChI=1S/C20H23N/c1-14-7-5-8-15(13-14)19-16-9-3-4-10-17(16)20-18(19)11-6-12-21(20)2/h3-5,7-10,13,18-20H,6,11-12H2,1-2H3/t18-,19-,20+/m1/s1

InChIKey

NYFHBHZWUCUADD-AQNXPRMDSA-N

Compound name

(4aR,5R,9bR)-1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.18304 Da
Monoisotopic Mass: 4.4
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]+	278.190316	167.9
[M+Na]+	300.172258	175.2
[M-H]-	276.175764	174.5
[M+NH4]+	295.216863	186.6
[M+K]+	316.146198	168.8
[M+H-H2O]+	260.180300	159.4
[M+HCOO]-	322.181241	184.8
[M+CH3COO]-	336.196891	178.9
[M+Na-2H]-	298.157706	169.6
[M]+	277.18249142	164.8
[M]-	277.18358858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.