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 173.9
[M+Na]+ 322.21412 178.3
[M-H]- 298.21762 179.0
[M+NH4]+ 317.25872 195.2
[M+K]+ 338.18806 175.2
[M+H-H2O]+ 282.22216 166.5
[M+HCOO]- 344.22310 189.2
[M+CH3COO]- 358.23875 212.0
[M+Na-2H]- 320.19957 177.3
[M]+ 299.22435 171.0
[M]- 299.22545 171.0
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.