PubChemLite - 2376990-30-4 (C21H26N4O8)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C21H26N4O8/c22-6-8-31-10-11-32-9-7-23-17(27)12-33-15-3-1-2-13-18(15)21(30)25(20(13)29)14-4-5-16(26)24-19(14)28/h1-3,14H,4-12,22H2,(H,23,27)(H,24,26,28)

InChIKey

YNVIHPPEIRQPOL-UHFFFAOYSA-N

Compound name

N-[2-[2-(2-aminoethoxy)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]+	463.18233	201.6
[M+Na]+	485.16427	204.5
[M-H]-	461.16777	203.8
[M+NH4]+	480.20887	207.8
[M+K]+	501.13821	201.7
[M+H-H2O]+	445.17231	192.1
[M+HCOO]-	507.17325	216.7
[M+CH3COO]-	521.18890	236.9
[M+Na-2H]-	483.14972	199.2
[M]+	462.17450	203.3
[M]-	462.17560	203.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.18233

201.6

[M+Na]+

485.16427

204.5

[M-H]-

461.16777

203.8

[M+NH4]+

480.20887

207.8

[M+K]+

501.13821

201.7

[M+H-H2O]+

445.17231

192.1

[M+HCOO]-

507.17325

216.7

[M+CH3COO]-

521.18890

236.9

[M+Na-2H]-

483.14972

199.2

[M]+

462.17450

203.3

[M]-

462.17560

203.3

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

2376990-30-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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