CID 116712

2-imidazolidinone, 1,1'-methylenebis(4,5-dihydroxy-3-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C11H20N4O8
SMILES
C(CO)N1C(C(N(C1=O)CN2C(C(N(C2=O)CCO)O)O)O)O
InChI
InChI=1S/C11H20N4O8/c16-3-1-12-6(18)8(20)14(10(12)22)5-15-9(21)7(19)13(2-4-17)11(15)23/h6-9,16-21H,1-5H2
InChIKey
SBAOYXDIGGVJKY-UHFFFAOYSA-N
Compound name
1-[[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

336.1281 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.13538 175.2
[M+Na]+ 359.11732 181.8
[M-H]- 335.12082 170.2
[M+NH4]+ 354.16192 183.4
[M+K]+ 375.09126 178.7
[M+H-H2O]+ 319.12536 168.9
[M+HCOO]- 381.12630 183.5
[M+CH3COO]- 395.14195 199.5
[M+Na-2H]- 357.10277 168.6
[M]+ 336.12755 173.4
[M]- 336.12865 173.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe