CID 165430233

10179-40-5

Structural Information

Molecular Formula

C₂₀H₂₉NO

SMILES

C[C@@]1(CCC[C@]2(C1CCC3=CC=CC=C32)C)CC(=O)N(C)C

InChI

InChI=1S/C20H29NO/c1-19(14-18(22)21(3)4)12-7-13-20(2)16-9-6-5-8-15(16)10-11-17(19)20/h5-6,8-9,17H,7,10-14H2,1-4H3/t17?,19-,20-/m1/s1

InChIKey

DBTGZJOCLYRQBO-IPNZSQQUSA-N

Compound name

2-[(1R,4aS)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]-N,N-dimethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.2249 Da
Monoisotopic Mass: 4.8
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]+	300.232176	173.9
[M+Na]+	322.214118	178.3
[M-H]-	298.217624	179.0
[M+NH4]+	317.258723	195.2
[M+K]+	338.188058	175.2
[M+H-H2O]+	282.222160	166.5
[M+HCOO]-	344.223101	189.2
[M+CH3COO]-	358.238751	212.0
[M+Na-2H]-	320.199566	177.3
[M]+	299.22435142	171.0
[M]-	299.22544858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.