CID 5278904

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

Structural Information

Molecular Formula
C27H29F3N4O6
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)COCC5=CC(=CC=C5)OC(F)(F)F
InChI
InChI=1S/C27H29F3N4O6/c1-26(17-33-14-24(34(35)36)31-25(33)40-26)18-38-22-7-5-21(6-8-22)32-11-9-19(10-12-32)15-37-16-20-3-2-4-23(13-20)39-27(28,29)30/h2-8,13-14,19H,9-12,15-18H2,1H3/t26-/m1/s1
InChIKey
RCZSWNMOEOGYGT-AREMUKBSSA-N
Compound name
(2R)-2-methyl-6-nitro-2-[[4-[4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]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

0
Patents

562.2039 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.21118 227.7
[M+Na]+ 585.19312 230.0
[M-H]- 561.19662 233.9
[M+NH4]+ 580.23772 230.7
[M+K]+ 601.16706 222.6
[M+H-H2O]+ 545.20116 218.1
[M+HCOO]- 607.20210 237.2
[M+CH3COO]- 621.21775 242.2
[M+Na-2H]- 583.17857 228.6
[M]+ 562.20335 225.0
[M]- 562.20445 225.0
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

No patent data available for this compound.