PubChemLite - Sobuzoxane (C22H34N4O10)

Structural Information

Molecular Formula

SMILES

CC(C)COC(=O)OCN1C(=O)CN(CC1=O)CCN2CC(=O)N(C(=O)C2)COC(=O)OCC(C)C

InChI

InChI=1S/C22H34N4O10/c1-15(2)11-33-21(31)35-13-25-17(27)7-23(8-18(25)28)5-6-24-9-19(29)26(20(30)10-24)14-36-22(32)34-12-16(3)4/h15-16H,5-14H2,1-4H3

InChIKey

OCOKWVBYZHBHLU-UHFFFAOYSA-N

Compound name

[4-[2-[4-(2-methylpropoxycarbonyloxymethyl)-3,5-dioxopiperazin-1-yl]ethyl]-2,6-dioxopiperazin-1-yl]methyl 2-methylpropyl carbonate

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]+	515.23478	214.2
[M+Na]+	537.21672	218.0
[M+NH4]+	532.26132	211.7
[M+K]+	553.19066	218.9
[M-H]-	513.22022	208.5
[M+Na-2H]-	535.20217	209.7
[M]+	514.22695	211.9
[M]-	514.22805	211.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

515.23478

214.2

[M+Na]+

537.21672

218.0

[M+NH4]+

532.26132

211.7

[M+K]+

553.19066

218.9

[M-H]-

513.22022

208.5

[M+Na-2H]-

535.20217

209.7

[M]+

514.22695

211.9

[M]-

514.22805

211.9

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

Sobuzoxane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe