CID 71751199

96735-72-7

Structural Information

Molecular Formula
C22H24F3NO7
SMILES
C1=CC=C(C=C1)C(CCN[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)OC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C22H24F3NO7/c23-22(24,25)13-6-8-14(9-7-13)32-15(12-4-2-1-3-5-12)10-11-26-20-18(29)16(27)17(28)19(33-20)21(30)31/h1-9,15-20,26-29H,10-11H2,(H,30,31)/t15?,16-,17-,18+,19-,20+/m0/s1
InChIKey
GXZQMXPRYAFVRG-OJRVOLPLSA-N
Compound name
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

471.15048 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.15776 209.6
[M+Na]+ 494.13970 214.6
[M+NH4]+ 489.18430 210.2
[M+K]+ 510.11364 212.7
[M-H]- 470.14320 207.7
[M+Na-2H]- 492.12515 209.5
[M]+ 471.14993 209.0
[M]- 471.15103 209.0
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.