CID 137699656

17alpha-methyl-androstan-3-hydroxyimine-17beta-ol

Structural Information

Molecular Formula
C20H33NO2
SMILES
C[C@]12CC/C(=N\O)/C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C
InChI
InChI=1S/C20H33NO2/c1-18-9-6-14(21-23)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22-23H,4-12H2,1-3H3/b21-14+/t13-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey
OZDYENBGCZIXOP-ZYWZIWGGSA-N
Compound name
(3E,5S,8R,9S,10S,13S,14S,17S)-3-hydroxyimino-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

319.25113 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.258406 178.8
[M+Na]+ 342.240348 183.4
[M-H]- 318.243854 181.5
[M+NH4]+ 337.284953 202.8
[M+K]+ 358.214288 177.6
[M+H-H2O]+ 302.248390 172.8
[M+HCOO]- 364.249331 187.6
[M+CH3COO]- 378.264981 187.2
[M+Na-2H]- 340.225796 180.1
[M]+ 319.25058142 170.1
[M]- 319.25167858 170.1
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.