CID 15251064

18f-ffnp

Structural Information

Molecular Formula
C25H29FO5
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5=CC=CO5)C(=O)C[18F])CCC6=CC(=O)CC[C@H]36
InChI
InChI=1S/C25H29FO5/c1-24-9-8-17-16-7-5-15(27)11-14(16)4-6-18(17)19(24)12-22-25(24,21(28)13-26)31-23(30-22)20-3-2-10-29-20/h2-3,10-11,16-19,22-23H,4-9,12-13H2,1H3/t16-,17+,18+,19-,22+,23+,24-,25+/m0/s1/i26-1
InChIKey
VJKRBRUNEOHPBS-JQKUZGBFSA-N
Compound name
(1R,2S,4R,6R,8S,9S,12S,13R)-8-(2-(18F)fluoranylacetyl)-6-(furan-2-yl)-9-methyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.20242 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.20970 199.5
[M+Na]+ 450.19164 205.1
[M-H]- 426.19514 208.6
[M+NH4]+ 445.23624 217.7
[M+K]+ 466.16558 202.2
[M+H-H2O]+ 410.19968 194.8
[M+HCOO]- 472.20062 205.6
[M+CH3COO]- 486.21627 207.9
[M+Na-2H]- 448.17709 195.1
[M]+ 427.20187 196.8
[M]- 427.20297 196.8
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

No patent data available for this compound.