CID 484422

51905-87-4

Structural Information

Molecular Formula
C20H31NO
SMILES
CC(C)C1=C2CC[C@@H]3[C@@](C2=CC(=C1O)N)(CCCC3(C)C)C
InChI
InChI=1S/C20H31NO/c1-12(2)17-13-7-8-16-19(3,4)9-6-10-20(16,5)14(13)11-15(21)18(17)22/h11-12,16,22H,6-10,21H2,1-5H3/t16-,20+/m0/s1
InChIKey
RLJSPSXYQAOQAZ-OXJNMPFZSA-N
Compound name
(4bS,8aS)-3-amino-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.24057 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.24785 174.9
[M+Na]+ 324.22979 181.4
[M-H]- 300.23329 177.8
[M+NH4]+ 319.27439 195.6
[M+K]+ 340.20373 176.6
[M+H-H2O]+ 284.23783 169.1
[M+HCOO]- 346.23877 187.3
[M+CH3COO]- 360.25442 210.9
[M+Na-2H]- 322.21524 175.9
[M]+ 301.24002 170.3
[M]- 301.24112 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.