CID 55864

Brn 5758470

Structural Information

Molecular Formula

C₂₀H₂₃NO

SMILES

CC1=CC=C(C=C1)[C@H]2[C@@H]3CCCN([C@@H]3C4=C2C=C(C=C4)O)C

InChI

InChI=1S/C20H23NO/c1-13-5-7-14(8-6-13)19-17-4-3-11-21(2)20(17)16-10-9-15(22)12-18(16)19/h5-10,12,17,19-20,22H,3-4,11H2,1-2H3/t17-,19-,20+/m0/s1

InChIKey

SPIAGQKDAKNOMM-YSIASYRMSA-N

Compound name

(4aS,5R,9bS)-1-methyl-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 293.17798 Da
Monoisotopic Mass: 4.0
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]+	294.185256	171.5
[M+Na]+	316.167198	179.2
[M-H]-	292.170704	177.2
[M+NH4]+	311.211803	189.2
[M+K]+	332.141138	172.7
[M+H-H2O]+	276.175240	163.6
[M+HCOO]-	338.176181	187.1
[M+CH3COO]-	352.191831	182.1
[M+Na-2H]-	314.152646	172.3
[M]+	293.17743142	168.6
[M]-	293.17852858	168.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.