CID 38258

Imidazolidinyl urea

Structural Information

Molecular Formula
C11H16N8O8
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

compound 2d structure
6
Annotation Hits

86
References

40621
Patents

388.1091 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11638 180.4
[M+Na]+ 411.09832 178.9
[M+NH4]+ 406.14292 177.4
[M+K]+ 427.07226 186.8
[M-H]- 387.10182 174.4
[M+Na-2H]- 409.08377 175.1
[M]+ 388.10855 176.6
[M]- 388.10965 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe