CID 21119615

Dtxsid00887257

Structural Information

Molecular Formula
C28H43NO2
SMILES
CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN(CCC(=O)C)CCC(=O)C)C
InChI
InChI=1S/C28H43NO2/c1-20(2)23-8-10-25-24(18-23)9-11-26-27(5,14-7-15-28(25,26)6)19-29(16-12-21(3)30)17-13-22(4)31/h8,10,18,20,26H,7,9,11-17,19H2,1-6H3/t26-,27-,28+/m0/s1
InChIKey
YPAVIPVDMOLQQS-HZFUHODCSA-N
Compound name
4-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl-(3-oxobutyl)amino]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.32938 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.33666 209.7
[M+Na]+ 448.31860 218.0
[M+NH4]+ 443.36320 219.6
[M+K]+ 464.29254 206.9
[M-H]- 424.32210 212.4
[M+Na-2H]- 446.30405 213.2
[M]+ 425.32883 211.8
[M]- 425.32993 211.8
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.