PubChemLite - (2r)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethyl)phenoxy]-1-piperidyl]phenoxy]methyl]-3h-imidazo[2,1-b]oxazole (C25H25F3N4O5)

Structural Information

Molecular Formula

SMILES

C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C25H25F3N4O5/c1-24(15-31-14-22(32(33)34)29-23(31)37-24)16-35-19-8-4-18(5-9-19)30-12-10-21(11-13-30)36-20-6-2-17(3-7-20)25(26,27)28/h2-9,14,21H,10-13,15-16H2,1H3/t24-/m1/s1

InChIKey

DMAIXEPFPJEFMX-XMMPIXPASA-N

Compound name

(2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethyl)phenoxy]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]+	519.18501	217.2
[M+Na]+	541.16695	221.0
[M-H]-	517.17045	223.8
[M+NH4]+	536.21155	222.2
[M+K]+	557.14089	213.0
[M+H-H2O]+	501.17499	208.0
[M+HCOO]-	563.17593	227.4
[M+CH3COO]-	577.19158	234.5
[M+Na-2H]-	539.15240	218.5
[M]+	518.17718	212.7
[M]-	518.17828	212.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.18501

217.2

[M+Na]+

541.16695

221.0

[M-H]-

517.17045

223.8

[M+NH4]+

536.21155

222.2

[M+K]+

557.14089

213.0

[M+H-H2O]+

501.17499

208.0

[M+HCOO]-

563.17593

227.4

[M+CH3COO]-

577.19158

234.5

[M+Na-2H]-

539.15240

218.5

[M]+

518.17718

212.7

[M]-

518.17828

212.7

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-(trifluoromethyl)phenoxy]-1-piperidyl]phenoxy]methyl]-3h-imidazo[2,1-b]oxazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe