CID 516397

Chembl333948

Structural Information

Molecular Formula
C17H25NO
SMILES
C[C@]12CCCC([C@@H]1CCC3=C2C=C(C=C3)OC)(C)N
InChI
InChI=1S/C17H25NO/c1-16-9-4-10-17(2,18)15(16)8-6-12-5-7-13(19-3)11-14(12)16/h5,7,11,15H,4,6,8-10,18H2,1-3H3/t15-,16-,17?/m1/s1
InChIKey
UVOFCPMSDXAVBD-YNPPLXCJSA-N
Compound name
(4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.1936 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 162.2
[M+Na]+ 282.182818 168.9
[M-H]- 258.186324 166.3
[M+NH4]+ 277.227423 184.8
[M+K]+ 298.156758 164.7
[M+H-H2O]+ 242.190860 155.5
[M+HCOO]- 304.191801 178.3
[M+CH3COO]- 318.207451 173.2
[M+Na-2H]- 280.168266 167.5
[M]+ 259.19305142 158.1
[M]- 259.19414858 158.1
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.