CID 6602217

63867-87-8

Structural Information

Molecular Formula

C₂₀H₂₇NO

SMILES

CC(=C)CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O

InChI

InChI=1S/C20H27NO/c1-14(2)13-21-10-9-20-8-4-3-5-17(20)19(21)11-15-6-7-16(22)12-18(15)20/h6-7,12,17,19,22H,1,3-5,8-11,13H2,2H3/t17-,19+,20+/m0/s1

InChIKey

XJQKTJBZFRAIHQ-DFQSSKMNSA-N

Compound name

(1R,9R,10R)-17-(2-methylprop-2-enyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.20926 Da
Monoisotopic Mass: 4.1
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]+	298.216536	174.0
[M+Na]+	320.198478	177.5
[M-H]-	296.201984	175.6
[M+NH4]+	315.243083	191.4
[M+K]+	336.172418	171.5
[M+H-H2O]+	280.206520	164.9
[M+HCOO]-	342.207461	182.4
[M+CH3COO]-	356.223111	181.9
[M+Na-2H]-	318.183926	175.9
[M]+	297.20871142	166.2
[M]-	297.20980858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.