PubChemLite - (2r)-2-methyl-6-nitro-2-[[6-[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperidyl]-3-pyridyl]oxymethyl]-3h-imidazo[2,1-b]oxazole (C25H26F3N5O5)

Structural Information

Molecular Formula

SMILES

C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CN=C(C=C3)N4CCC(CC4)CC5=CC=C(C=C5)OC(F)(F)F

InChI

InChI=1S/C25H26F3N5O5/c1-24(15-32-14-22(33(34)35)30-23(32)38-24)16-36-20-6-7-21(29-13-20)31-10-8-18(9-11-31)12-17-2-4-19(5-3-17)37-25(26,27)28/h2-7,13-14,18H,8-12,15-16H2,1H3/t24-/m1/s1

InChIKey

YUZRQEKPCYLTTF-XMMPIXPASA-N

Compound name

(2R)-2-methyl-6-nitro-2-[[6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]pyridin-3-yl]oxymethyl]-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]+	534.19588	219.9
[M+Na]+	556.17782	223.4
[M-H]-	532.18132	225.3
[M+NH4]+	551.22242	222.9
[M+K]+	572.15176	215.3
[M+H-H2O]+	516.18586	209.8
[M+HCOO]-	578.18680	228.7
[M+CH3COO]-	592.20245	237.1
[M+Na-2H]-	554.16327	221.3
[M]+	533.18805	215.8
[M]-	533.18915	215.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

534.19588

219.9

[M+Na]+

556.17782

223.4

[M-H]-

532.18132

225.3

[M+NH4]+

551.22242

222.9

[M+K]+

572.15176

215.3

[M+H-H2O]+

516.18586

209.8

[M+HCOO]-

578.18680

228.7

[M+CH3COO]-

592.20245

237.1

[M+Na-2H]-

554.16327

221.3

[M]+

533.18805

215.8

[M]-

533.18915

215.8

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-[[6-[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperidyl]-3-pyridyl]oxymethyl]-3h-imidazo[2,1-b]oxazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe