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]+ 260.20088 162.2
[M+Na]+ 282.18282 168.9
[M-H]- 258.18632 166.3
[M+NH4]+ 277.22742 184.8
[M+K]+ 298.15676 164.7
[M+H-H2O]+ 242.19086 155.5
[M+HCOO]- 304.19180 178.3
[M+CH3COO]- 318.20745 173.2
[M+Na-2H]- 280.16827 167.5
[M]+ 259.19305 158.1
[M]- 259.19415 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.