CID 10633

Mestanolone

Structural Information

Molecular Formula
C20H32O2
SMILES
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C
InChI
InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey
WYZDXEKUWRCKOB-YDSAWKJFSA-N
Compound name
(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

45
References

4531
Patents

304.24023 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 177.5
[M+Na]+ 327.22945 182.8
[M-H]- 303.23295 180.4
[M+NH4]+ 322.27405 202.4
[M+K]+ 343.20339 176.8
[M+H-H2O]+ 287.23749 171.4
[M+HCOO]- 349.23843 185.2
[M+CH3COO]- 363.25408 186.2
[M+Na-2H]- 325.21490 177.8
[M]+ 304.23968 169.3
[M]- 304.24078 169.3
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.