CID 21123862

Drocinonide phosphate potassium

Structural Information

Molecular Formula
C24H36FO9P
SMILES
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)COP(=O)(O)O)C)O)F
InChI
InChI=1S/C24H36FO9P/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31/h13,15-17,19,27H,5-12H2,1-4H3,(H2,29,30,31)/t13-,15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
IFYQNZXTZLPPKV-QLRNAMTQSA-N
Compound name
[2-[(1S,2S,4R,8S,9S,11S,12R,13S,18S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-8-yl]-2-oxoethyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

518.20807 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.21535 207.6
[M+Na]+ 541.19729 208.1
[M+NH4]+ 536.24189 216.8
[M+K]+ 557.17123 203.1
[M-H]- 517.20079 204.5
[M+Na-2H]- 539.18274 205.6
[M]+ 518.20752 206.8
[M]- 518.20862 206.8
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

patents stripe