PubChemLite - 756525-92-5 (C38H63N3O19)

Structural Information

Molecular Formula

SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O

InChI

InChI=1S/C38H63N3O19/c42-33(5-8-40-34(43)1-2-35(40)44)39-7-10-49-12-14-51-16-18-53-20-22-55-24-26-57-28-30-59-32-31-58-29-27-56-25-23-54-21-19-52-17-15-50-13-11-48-9-6-38(47)60-41-36(45)3-4-37(41)46/h1-2H,3-32H2,(H,39,42)

InChIKey

LWNZLSLPQXOOAO-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

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]+	866.41288	314.4
[M+Na]+	888.39482	322.5
[M-H]-	864.39832	316.4
[M+NH4]+	883.43942	330.2
[M+K]+	904.36876	313.3
[M+H-H2O]+	848.40286	318.7
[M+HCOO]-	910.40380	327.9
[M+CH3COO]-	924.41945	297.6
[M+Na-2H]-	886.38027	293.3
[M]+	865.40505	321.3
[M]-	865.40615	321.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

866.41288

314.4

[M+Na]+

888.39482

322.5

[M-H]-

864.39832

316.4

[M+NH4]+

883.43942

330.2

[M+K]+

904.36876

313.3

[M+H-H2O]+

848.40286

318.7

[M+HCOO]-

910.40380

327.9

[M+CH3COO]-

924.41945

297.6

[M+Na-2H]-

886.38027

293.3

[M]+

865.40505

321.3

[M]-

865.40615

321.3

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

756525-92-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe