CID 166158894

2877755-11-6

Structural Information

Molecular Formula
C22H23F5N2O5
SMILES
C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)NC2=CN=C(C=C2)[C@H](CO)O)C3=C(C(=C(C=C3)F)F)OC
InChI
InChI=1S/C22H23F5N2O5/c1-10-16(12-5-6-13(23)17(24)18(12)33-3)19(34-21(10,2)22(25,26)27)20(32)29-11-4-7-14(28-8-11)15(31)9-30/h4-8,10,15-16,19,30-31H,9H2,1-3H3,(H,29,32)/t10-,15-,16-,19+,21+/m0/s1
InChIKey
HXXNLIYFNQKZHX-PEHJGKTGSA-N
Compound name
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]pyridin-3-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

490.1527 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.15998 213.1
[M+Na]+ 513.14192 217.1
[M+NH4]+ 508.18652 213.8
[M+K]+ 529.11586 214.4
[M-H]- 489.14542 208.8
[M+Na-2H]- 511.12737 212.5
[M]+ 490.15215 211.9
[M]- 490.15325 211.9
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