CID 5278848

(2r)-6-nitro-2-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]-1-piperidyl]phenoxy]methyl]-2,3-dihydroimidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C25H25F3N4O6
SMILES
C1CN(CCC1OCC2=CC=C(C=C2)OC(F)(F)F)C3=CC=C(C=C3)OC[C@H]4CN5C=C(N=C5O4)[N+](=O)[O-]
InChI
InChI=1S/C25H25F3N4O6/c26-25(27,28)38-21-5-1-17(2-6-21)15-35-20-9-11-30(12-10-20)18-3-7-19(8-4-18)36-16-22-13-31-14-23(32(33)34)29-24(31)37-22/h1-8,14,20,22H,9-13,15-16H2/t22-/m1/s1
InChIKey
CZYBOKRPGOKQNN-JOCHJYFZSA-N
Compound name
(2R)-6-nitro-2-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

534.1726 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.17988 219.2
[M+Na]+ 557.16182 221.3
[M-H]- 533.16532 225.5
[M+NH4]+ 552.20642 221.3
[M+K]+ 573.13576 213.8
[M+H-H2O]+ 517.16986 209.7
[M+HCOO]- 579.17080 229.3
[M+CH3COO]- 593.18645 237.2
[M+Na-2H]- 555.14727 219.7
[M]+ 534.17205 215.5
[M]- 534.17315 215.5
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.