CID 5278919

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

Structural Information

Molecular Formula
C26H27F3N4O5
SMILES
C1CN(CCC1CCC2=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/C26H27F3N4O5/c27-26(28,29)38-22-7-3-18(4-8-22)1-2-19-11-13-31(14-12-19)20-5-9-21(10-6-20)36-17-23-15-32-16-24(33(34)35)30-25(32)37-23/h3-10,16,19,23H,1-2,11-15,17H2/t23-/m1/s1
InChIKey
MGGNPVAIBNYISV-HSZRJFAPSA-N
Compound name
(2R)-6-nitro-2-[[4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]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

6
Patents

532.19336 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.20064 222.0
[M+Na]+ 555.18258 224.1
[M-H]- 531.18608 228.1
[M+NH4]+ 550.22718 224.3
[M+K]+ 571.15652 215.5
[M+H-H2O]+ 515.19062 212.3
[M+HCOO]- 577.19156 231.7
[M+CH3COO]- 591.20721 237.9
[M+Na-2H]- 553.16803 221.4
[M]+ 532.19281 217.3
[M]- 532.19391 217.3
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