PubChemLite - (2r)-2-methyl-6-nitro-2-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]-1-piperidyl]phenoxy]methyl]-3h-imidazo[2,1-b]oxazole (C26H27F3N4O6)

Structural Information

Molecular Formula

SMILES

C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OCC5=CC=C(C=C5)OC(F)(F)F

InChI

InChI=1S/C26H27F3N4O6/c1-25(16-32-14-23(33(34)35)30-24(32)39-25)17-37-20-8-4-19(5-9-20)31-12-10-21(11-13-31)36-15-18-2-6-22(7-3-18)38-26(27,28)29/h2-9,14,21H,10-13,15-17H2,1H3/t25-/m1/s1

InChIKey

HKSWKEZGAVTQQE-RUZDIDTESA-N

Compound name

(2R)-2-methyl-6-nitro-2-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	549.19558	223.3
[M+Na]+	571.17752	226.2
[M-H]-	547.18102	229.8
[M+NH4]+	566.22212	226.9
[M+K]+	587.15146	218.9
[M+H-H2O]+	531.18556	213.9
[M+HCOO]-	593.18650	233.2
[M+CH3COO]-	607.20215	239.4
[M+Na-2H]-	569.16297	224.7
[M]+	548.18775	220.4
[M]-	548.18885	220.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

549.19558

223.3

[M+Na]+

571.17752

226.2

[M-H]-

547.18102

229.8

[M+NH4]+

566.22212

226.9

[M+K]+

587.15146

218.9

[M+H-H2O]+

531.18556

213.9

[M+HCOO]-

593.18650

233.2

[M+CH3COO]-

607.20215

239.4

[M+Na-2H]-

569.16297

224.7

[M]+

548.18775

220.4

[M]-

548.18885

220.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe