CID 170459243

Hrldwjxnektioq-xiksmueasa-n

Structural Information

Molecular Formula
C21H21F4NO6
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC2=CC=CC(=C2C3=CC=C(C=C3)F)C(F)(F)F)CO)O)O
InChI
InChI=1S/C21H21F4NO6/c1-10(28)26-17-19(30)18(29)15(9-27)32-20(17)31-14-4-2-3-13(21(23,24)25)16(14)11-5-7-12(22)8-6-11/h2-8,15,17-20,27,29-30H,9H2,1H3,(H,26,28)/t15-,17-,18+,19-,20-/m1/s1
InChIKey
HRLDWJXNEKTIOQ-XIKSMUEASA-N
Compound name
N-[(2S,3R,4R,5R,6R)-2-[2-(4-fluorophenyl)-3-(trifluoromethyl)phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.1305 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.13778 208.8
[M+Na]+ 482.11972 214.6
[M+NH4]+ 477.16432 209.6
[M+K]+ 498.09366 211.5
[M-H]- 458.12322 206.5
[M+Na-2H]- 480.10517 208.5
[M]+ 459.12995 208.4
[M]- 459.13105 208.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.