CID 5278898

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

Structural Information

Molecular Formula
C25H25F3N4O5
SMILES
C1CN(CCC1CC2=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/C25H25F3N4O5/c26-25(27,28)37-21-5-1-17(2-6-21)13-18-9-11-30(12-10-18)19-3-7-20(8-4-19)35-16-22-14-31-15-23(32(33)34)29-24(31)36-22/h1-8,15,18,22H,9-14,16H2/t22-/m1/s1
InChIKey
ZZIGARXVURNMQZ-JOCHJYFZSA-N
Compound name
(2R)-6-nitro-2-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]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

25
Patents

518.17773 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.18501 217.6
[M+Na]+ 541.16695 220.1
[M-H]- 517.17045 223.8
[M+NH4]+ 536.21155 220.5
[M+K]+ 557.14089 211.8
[M+H-H2O]+ 501.17499 208.1
[M+HCOO]- 563.17593 227.6
[M+CH3COO]- 577.19158 235.1
[M+Na-2H]- 539.15240 217.5
[M]+ 518.17718 212.6
[M]- 518.17828 212.6
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