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]+ 302.247846 174.9
[M+Na]+ 324.229788 181.4
[M-H]- 300.233294 177.8
[M+NH4]+ 319.274393 195.6
[M+K]+ 340.203728 176.6
[M+H-H2O]+ 284.237830 169.1
[M+HCOO]- 346.238771 187.3
[M+CH3COO]- 360.254421 210.9
[M+Na-2H]- 322.215236 175.9
[M]+ 301.24002142 170.3
[M]- 301.24111858 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.