CID 449706

16beta-fluorodihydrotestosterone f-18

Structural Information

Molecular Formula
C19H29FO2
SMILES
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@@H]4O)[18F])C
InChI
InChI=1S/C19H29FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h11,13-17,22H,3-10H2,1-2H3/t11-,13+,14-,15-,16-,17-,18-,19-/m0/s1/i20-1
InChIKey
LNSIGBRLIFKJTK-BPEIFDKISA-N
Compound name
(5S,8R,9S,10S,13S,14S,16S,17R)-16-(18F)fluoranyl-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21768 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22496 177.9
[M+Na]+ 330.20690 185.6
[M+NH4]+ 325.25150 189.7
[M+K]+ 346.18084 176.4
[M-H]- 306.21040 178.7
[M+Na-2H]- 328.19235 178.4
[M]+ 307.21713 179.2
[M]- 307.21823 179.2
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.