CID 62277

Diazolidinyl urea

Structural Information

Molecular Formula
C8H14N4O7
SMILES
C(NC(=O)N(CO)C1C(=O)N(C(=O)N1CO)CO)O
InChI
InChI=1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18)
InChIKey
SOROIESOUPGGFO-UHFFFAOYSA-N
Compound name
1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

45
References

23100
Patents

278.08624 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.093516 155.6
[M+Na]+ 301.075458 161.1
[M-H]- 277.078964 153.1
[M+NH4]+ 296.120063 168.0
[M+K]+ 317.049398 160.8
[M+H-H2O]+ 261.083500 148.6
[M+HCOO]- 323.084441 173.1
[M+CH3COO]- 337.100091 196.3
[M+Na-2H]- 299.060906 155.2
[M]+ 278.08569142 154.8
[M]- 278.08678858 154.8
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