CID 10181733

Bi-44847

Structural Information

Molecular Formula
C21H29FN2O7
SMILES
CC1=C(C(=NN1C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=C(C=C(C=C3)OC)F
InChI
InChI=1S/C21H29FN2O7/c1-10(2)24-11(3)14(7-12-5-6-13(29-4)8-15(12)22)20(23-24)31-21-19(28)18(27)17(26)16(9-25)30-21/h5-6,8,10,16-19,21,25-28H,7,9H2,1-4H3/t16-,17-,18+,19-,21+/m1/s1
InChIKey
AOBLNYCSGWSIPG-YRIDSSQKSA-N
Compound name
(2S,3R,4S,5S,6R)-2-[4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

440.1959 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.20318 210.0
[M+Na]+ 463.18512 218.6
[M+NH4]+ 458.22972 211.8
[M+K]+ 479.15906 218.2
[M-H]- 439.18862 210.1
[M+Na-2H]- 461.17057 208.8
[M]+ 440.19535 210.7
[M]- 440.19645 210.7
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

patents stripe