PubChemLite - Brn 0905662 (C22H32N4O8)

Structural Information

Molecular Formula

SMILES

CC1(C(=O)N(C(=O)N1CC2CO2)CC(CN3C(=O)C(N(C3=O)CC4CO4)(C)C)OCC5CO5)C

InChI

InChI=1S/C22H32N4O8/c1-21(2)17(27)23(19(29)25(21)7-14-9-32-14)5-13(31-11-16-12-34-16)6-24-18(28)22(3,4)26(20(24)30)8-15-10-33-15/h13-16H,5-12H2,1-4H3

InChIKey

RXBBSTXUVVVWRC-UHFFFAOYSA-N

Compound name

3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-(oxiran-2-ylmethoxy)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione

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]+	481.22930	223.0
[M+Na]+	503.21124	225.8
[M-H]-	479.21474	230.8
[M+NH4]+	498.25584	215.5
[M+K]+	519.18518	226.6
[M+H-H2O]+	463.21928	221.1
[M+HCOO]-	525.22022	225.1
[M+CH3COO]-	539.23587	244.3
[M+Na-2H]-	501.19669	213.4
[M]+	480.22147	233.2
[M]-	480.22257	233.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.22930

223.0

[M+Na]+

503.21124

225.8

[M-H]-

479.21474

230.8

[M+NH4]+

498.25584

215.5

[M+K]+

519.18518

226.6

[M+H-H2O]+

463.21928

221.1

[M+HCOO]-

525.22022

225.1

[M+CH3COO]-

539.23587

244.3

[M+Na-2H]-

501.19669

213.4

[M]+

480.22147

233.2

[M]-

480.22257

233.2

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

Brn 0905662

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe