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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.23218 175.2
[M+Na]+ 322.21412 186.2
[M+NH4]+ 317.25872 187.7
[M+K]+ 338.18806 174.5
[M-H]- 298.21762 179.5
[M+Na-2H]- 320.19957 182.0
[M]+ 299.22435 178.4
[M]- 299.22545 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.