PubChemLite - 2416235-98-6 (C21H24N2O10)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C21H24N2O10/c24-16-5-4-14(19(27)22-16)23-20(28)13-2-1-3-15(18(13)21(23)29)33-11-10-31-7-6-30-8-9-32-12-17(25)26/h1-3,14H,4-12H2,(H,25,26)(H,22,24,27)

InChIKey

CZEZZHJBVFUECW-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]acetic 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]+	465.15038	199.4
[M+Na]+	487.13232	203.0
[M-H]-	463.13582	200.6
[M+NH4]+	482.17692	205.4
[M+K]+	503.10626	201.0
[M+H-H2O]+	447.14036	190.5
[M+HCOO]-	509.14130	211.7
[M+CH3COO]-	523.15695	229.4
[M+Na-2H]-	485.11777	196.5
[M]+	464.14255	204.6
[M]-	464.14365	204.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.15038

199.4

[M+Na]+

487.13232

203.0

[M-H]-

463.13582

200.6

[M+NH4]+

482.17692

205.4

[M+K]+

503.10626

201.0

[M+H-H2O]+

447.14036

190.5

[M+HCOO]-

509.14130

211.7

[M+CH3COO]-

523.15695

229.4

[M+Na-2H]-

485.11777

196.5

[M]+

464.14255

204.6

[M]-

464.14365

204.6

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

2416235-98-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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