CID 53354764

Pf-04995274

Structural Information

Molecular Formula
C23H32N2O6
SMILES
C1COC[C@@H]1OC2=CC=CC3=C2C(=NO3)OCC4CCN(CC4)CC5(CCOCC5)O
InChI
InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
InChIKey
WLLOFQROROXOMO-GOSISDBHSA-N
Compound name
4-[[4-[[4-[(3R)-oxolan-3-yl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

17
Patents

432.22604 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.23332 201.9
[M+Na]+ 455.21526 211.8
[M+NH4]+ 450.25986 209.2
[M+K]+ 471.18920 208.8
[M-H]- 431.21876 210.2
[M+Na-2H]- 453.20071 205.7
[M]+ 432.22549 205.6
[M]- 432.22659 205.6
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

patents stripe