CID 131769987

4-hydroxyvoriconazole

Structural Information

Molecular Formula
C16H14F3N5O2
SMILES
C[C@@H](C1=NC=NC=C1F)[C@@](C2=C(C=C(C=C2)F)F)(C(N3C=NC=N3)O)O
InChI
InChI=1S/C16H14F3N5O2/c1-9(14-13(19)5-20-6-22-14)16(26,15(25)24-8-21-7-23-24)11-3-2-10(17)4-12(11)18/h2-9,15,25-26H,1H3/t9-,15?,16+/m0/s1
InChIKey
ICGJRJXWKNVQMK-TXTOSPAFSA-N
Compound name
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.10995 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11723 179.0
[M+Na]+ 388.09917 188.0
[M+NH4]+ 383.14377 180.8
[M+K]+ 404.07311 186.9
[M-H]- 364.10267 175.3
[M+Na-2H]- 386.08462 183.7
[M]+ 365.10940 178.7
[M]- 365.11050 178.7
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.