7-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-2-oxoethoxy)ethoxy)heptanoic acid (C24H29N3O9)

Structural Information

Molecular Formula

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COCCOCCCCCCC(=O)O

InChI

InChI=1S/C24H29N3O9/c28-18-10-9-17(22(32)26-18)27-23(33)15-6-5-7-16(21(15)24(27)34)25-19(29)14-36-13-12-35-11-4-2-1-3-8-20(30)31/h5-7,17H,1-4,8-14H2,(H,25,29)(H,30,31)(H,26,28,32)

InChIKey

PTXYFBNBOJXGJO-UHFFFAOYSA-N

Compound name

7-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]ethoxy]heptanoic acid

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]+	504.197646	212.2
[M+Na]+	526.179588	213.9
[M-H]-	502.183094	213.0
[M+NH4]+	521.224193	216.3
[M+K]+	542.153528	210.8
[M+H-H2O]+	486.187630	203.1
[M+HCOO]-	548.188571	223.7
[M+CH3COO]-	562.204221	241.1
[M+Na-2H]-	524.165036	207.5
[M]+	503.18982142	214.9
[M]-	503.19091858	214.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

504.197646

212.2

[M+Na]+

526.179588

213.9

[M-H]-

502.183094

213.0

[M+NH4]+

521.224193

216.3

[M+K]+

542.153528

210.8

[M+H-H2O]+

486.187630

203.1

[M+HCOO]-

548.188571

223.7

[M+CH3COO]-

562.204221

241.1

[M+Na-2H]-

524.165036

207.5

[M]+

503.18982142

214.9

[M]-

503.19091858

214.9

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

7-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-2-oxoethoxy)ethoxy)heptanoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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