CID 5278906

(2r)-2-[[4-[4-[(4-fluorophenoxy)methyl]-1-piperidyl]phenoxy]methyl]-2-methyl-6-nitro-3h-imidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C25H27FN4O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)COC5=CC=C(C=C5)F
InChI
InChI=1S/C25H27FN4O5/c1-25(16-29-14-23(30(31)32)27-24(29)35-25)17-34-22-8-4-20(5-9-22)28-12-10-18(11-13-28)15-33-21-6-2-19(26)3-7-21/h2-9,14,18H,10-13,15-17H2,1H3/t25-/m1/s1
InChIKey
MZYMFKCIGDGWHL-RUZDIDTESA-N
Compound name
(2R)-2-[[4-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.19653 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.20381 212.1
[M+Na]+ 505.18575 215.2
[M-H]- 481.18925 220.9
[M+NH4]+ 500.23035 218.4
[M+K]+ 521.15969 207.4
[M+H-H2O]+ 465.19379 203.6
[M+HCOO]- 527.19473 225.8
[M+CH3COO]- 541.21038 229.7
[M+Na-2H]- 503.17120 212.4
[M]+ 482.19598 209.9
[M]- 482.19708 209.9
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

No patent data available for this compound.