CID 5278912

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

Structural Information

Molecular Formula
C28H31F3N4O6
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)CCOCC5=CC=C(C=C5)OC(F)(F)F
InChI
InChI=1S/C28H31F3N4O6/c1-27(18-34-16-25(35(36)37)32-26(34)41-27)19-39-23-8-4-22(5-9-23)33-13-10-20(11-14-33)12-15-38-17-21-2-6-24(7-3-21)40-28(29,30)31/h2-9,16,20H,10-15,17-19H2,1H3/t27-/m1/s1
InChIKey
KVQMOAYHLZSQCF-HHHXNRCGSA-N
Compound name
(2R)-2-methyl-6-nitro-2-[[4-[4-[2-[[4-(trifluoromethoxy)phenyl]methoxy]ethyl]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

576.21954 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.22682 232.0
[M+Na]+ 599.20876 233.8
[M-H]- 575.21226 238.0
[M+NH4]+ 594.25336 234.4
[M+K]+ 615.18270 226.2
[M+H-H2O]+ 559.21680 222.2
[M+HCOO]- 621.21774 241.1
[M+CH3COO]- 635.23339 244.9
[M+Na-2H]- 597.19421 232.4
[M]+ 576.21899 229.6
[M]- 576.22009 229.6
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