PubChemLite - 2245697-85-0 (C25H34N4O10)

Structural Information

Molecular Formula

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCOCCOCCOCCN

InChI

InChI=1S/C25H34N4O10/c26-6-8-35-10-12-37-14-15-38-13-11-36-9-7-27-21(31)16-39-19-3-1-2-17-22(19)25(34)29(24(17)33)18-4-5-20(30)28-23(18)32/h1-3,18H,4-16,26H2,(H,27,31)(H,28,30,32)

InChIKey

XXVMHTPJBXBXRY-UHFFFAOYSA-N

Compound name

N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

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]+	551.23478	218.9
[M+Na]+	573.21672	219.1
[M-H]-	549.22022	220.1
[M+NH4]+	568.26132	221.1
[M+K]+	589.19066	217.5
[M+H-H2O]+	533.22476	208.4
[M+HCOO]-	595.22570	232.8
[M+CH3COO]-	609.24135	253.1
[M+Na-2H]-	571.20217	215.8
[M]+	550.22695	224.7
[M]-	550.22805	224.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

551.23478

218.9

[M+Na]+

573.21672

219.1

[M-H]-

549.22022

220.1

[M+NH4]+

568.26132

221.1

[M+K]+

589.19066

217.5

[M+H-H2O]+

533.22476

208.4

[M+HCOO]-

595.22570

232.8

[M+CH3COO]-

609.24135

253.1

[M+Na-2H]-

571.20217

215.8

[M]+

550.22695

224.7

[M]-

550.22805

224.7

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

2245697-85-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe