CID 5278899

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

Structural Information

Molecular Formula
C26H27F3N4O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)CC5=CC(=CC=C5)OC(F)(F)F
InChI
InChI=1S/C26H27F3N4O5/c1-25(16-32-15-23(33(34)35)30-24(32)38-25)17-36-21-7-5-20(6-8-21)31-11-9-18(10-12-31)13-19-3-2-4-22(14-19)37-26(27,28)29/h2-8,14-15,18H,9-13,16-17H2,1H3/t25-/m1/s1
InChIKey
CZZBWKCTAFRLQP-RUZDIDTESA-N
Compound name
(2R)-2-methyl-6-nitro-2-[[4-[4-[[3-(trifluoromethoxy)phenyl]methyl]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

532.19336 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.20064 221.6
[M+Na]+ 555.18258 224.9
[M-H]- 531.18608 228.0
[M+NH4]+ 550.22718 226.0
[M+K]+ 571.15652 216.7
[M+H-H2O]+ 515.19062 212.2
[M+HCOO]- 577.19156 231.4
[M+CH3COO]- 591.20721 237.3
[M+Na-2H]- 553.16803 222.4
[M]+ 532.19281 217.4
[M]- 532.19391 217.4
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