CID 3033736

88763-19-3

Structural Information

Molecular Formula

C₁₉H₂₂N₂

SMILES

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

InChI

InChI=1S/C19H22N2/c1-12-8-9-13(11-17(12)20)18-14-5-2-3-6-15(14)19-16(18)7-4-10-21-19/h2-3,5-6,8-9,11,16,18-19,21H,4,7,10,20H2,1H3/t16-,18-,19+/m1/s1

InChIKey

OALOQDOGDUFPCR-QRQLOZEOSA-N

Compound name

5-[(4aR,5R,9bR)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]-2-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.17828 Da
Monoisotopic Mass: 3.2
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]+	279.185556	166.2
[M+Na]+	301.167498	172.8
[M-H]-	277.171004	171.1
[M+NH4]+	296.212103	183.7
[M+K]+	317.141438	165.5
[M+H-H2O]+	261.175540	158.3
[M+HCOO]-	323.176481	182.5
[M+CH3COO]-	337.192131	176.3
[M+Na-2H]-	299.152946	168.0
[M]+	278.17773142	159.7
[M]-	278.17882858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.