PubChemLite - Imidazolidinyl urea (C11H16N8O8)

Structural Information

Molecular Formula

SMILES

C(NC(=O)NC1C(=O)NC(=O)N1CO)NC(=O)NC2C(=O)NC(=O)N2CO

InChI

InChI=1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)

InChIKey

ZCTXEAQXZGPWFG-UHFFFAOYSA-N

Compound name

1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-3-[[[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]carbamoylamino]methyl]urea

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]+	389.11638	178.4
[M+Na]+	411.09832	181.0
[M-H]-	387.10182	176.4
[M+NH4]+	406.14292	183.7
[M+K]+	427.07226	179.4
[M+H-H2O]+	371.10636	169.9
[M+HCOO]-	433.10730	192.9
[M+CH3COO]-	447.12295	220.6
[M+Na-2H]-	409.08377	175.9
[M]+	388.10855	172.2
[M]-	388.10965	172.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.11638

178.4

[M+Na]+

411.09832

181.0

[M-H]-

387.10182

176.4

[M+NH4]+

406.14292

183.7

[M+K]+

427.07226

179.4

[M+H-H2O]+

371.10636

169.9

[M+HCOO]-

433.10730

192.9

[M+CH3COO]-

447.12295

220.6

[M+Na-2H]-

409.08377

175.9

[M]+

388.10855

172.2

[M]-

388.10965

172.2

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

Imidazolidinyl urea

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe