Oxiramide (C25H34N2O2)

Structural Information

Molecular Formula

SMILES

C[C@@H]1CCC[C@@H](N1CCCCNC(=O)[C@@H](C2=CC=CC=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C25H34N2O2/c1-20-12-11-13-21(2)27(20)19-10-9-18-26-25(28)24(22-14-5-3-6-15-22)29-23-16-7-4-8-17-23/h3-8,14-17,20-21,24H,9-13,18-19H2,1-2H3,(H,26,28)/t20-,21+,24-/m1/s1

InChIKey

DTOKETCXTCHCDD-ZFGGDYGUSA-N

Compound name

(2R)-N-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butyl]-2-phenoxy-2-phenylacetamide

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]+	395.269296	200.4
[M+Na]+	417.251238	200.8
[M-H]-	393.254744	206.3
[M+NH4]+	412.295843	208.8
[M+K]+	433.225178	195.8
[M+H-H2O]+	377.259280	189.0
[M+HCOO]-	439.260221	216.2
[M+CH3COO]-	453.275871	225.9
[M+Na-2H]-	415.236686	198.8
[M]+	394.26147142	197.5
[M]-	394.26256858	197.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

395.269296

200.4

[M+Na]+

417.251238

200.8

[M-H]-

393.254744

206.3

[M+NH4]+

412.295843

208.8

[M+K]+

433.225178

195.8

[M+H-H2O]+

377.259280

189.0

[M+HCOO]-

439.260221

216.2

[M+CH3COO]-

453.275871

225.9

[M+Na-2H]-

415.236686

198.8

[M]+

394.26147142

197.5

[M]-

394.26256858

197.5

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

Oxiramide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe