PubChemLite - Chembl219238 (C25H28N4O5)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)OC2CCN(CC2)C3=CC=C(C=C3)OC[C@]4(CN5C=C(N=C5O4)[N+](=O)[O-])C

InChI

InChI=1S/C25H28N4O5/c1-18-3-7-21(8-4-18)33-22-11-13-27(14-12-22)19-5-9-20(10-6-19)32-17-25(2)16-28-15-23(29(30)31)26-24(28)34-25/h3-10,15,22H,11-14,16-17H2,1-2H3/t25-/m1/s1

InChIKey

MVGSWKDUVHMLMV-RUZDIDTESA-N

Compound name

(2R)-2-methyl-2-[[4-[4-(4-methylphenoxy)piperidin-1-yl]phenoxy]methyl]-6-nitro-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]+	465.21324	209.5
[M+Na]+	487.19518	212.6
[M-H]-	463.19868	219.7
[M+NH4]+	482.23978	216.6
[M+K]+	503.16912	205.3
[M+H-H2O]+	447.20322	202.1
[M+HCOO]-	509.20416	224.3
[M+CH3COO]-	523.21981	227.2
[M+Na-2H]-	485.18063	210.4
[M]+	464.20541	208.3
[M]-	464.20651	208.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.21324

209.5

[M+Na]+

487.19518

212.6

[M-H]-

463.19868

219.7

[M+NH4]+

482.23978

216.6

[M+K]+

503.16912

205.3

[M+H-H2O]+

447.20322

202.1

[M+HCOO]-

509.20416

224.3

[M+CH3COO]-

523.21981

227.2

[M+Na-2H]-

485.18063

210.4

[M]+

464.20541

208.3

[M]-

464.20651

208.3

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

Chembl219238

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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