CID 5278913

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

Structural Information

Molecular Formula
C28H31F3N4O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)CCOCC5=CC=C(C=C5)C(F)(F)F
InChI
InChI=1S/C28H31F3N4O5/c1-27(18-34-16-25(35(36)37)32-26(34)40-27)19-39-24-8-6-23(7-9-24)33-13-10-20(11-14-33)12-15-38-17-21-2-4-22(5-3-21)28(29,30)31/h2-9,16,20H,10-15,17-19H2,1H3/t27-/m1/s1
InChIKey
ZOOSDQHNALPCOX-HHHXNRCGSA-N
Compound name
(2R)-2-methyl-6-nitro-2-[[4-[4-[2-[[4-(trifluoromethyl)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

560.2247 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.23198 230.3
[M+Na]+ 583.21392 232.6
[M-H]- 559.21742 236.3
[M+NH4]+ 578.25852 233.5
[M+K]+ 599.18786 224.1
[M+H-H2O]+ 543.22196 220.5
[M+HCOO]- 605.22290 239.4
[M+CH3COO]- 619.23855 242.9
[M+Na-2H]- 581.19937 230.1
[M]+ 560.22415 226.6
[M]- 560.22525 226.6
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