CID 87125

17464-88-9

Structural Information

Molecular Formula
C12H22N4O6
SMILES
COCN1C2C(N(C1=O)COC)N(C(=O)N2COC)COC
InChI
InChI=1S/C12H22N4O6/c1-19-5-13-9-10(15(7-21-3)11(13)17)16(8-22-4)12(18)14(9)6-20-2/h9-10H,5-8H2,1-4H3
InChIKey
XGQJGMGAMHFMAO-UHFFFAOYSA-N
Compound name
1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8141
Patents

318.15393 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16121 170.9
[M+Na]+ 341.14315 179.9
[M-H]- 317.14665 170.6
[M+NH4]+ 336.18775 185.2
[M+K]+ 357.11709 179.5
[M+H-H2O]+ 301.15119 163.7
[M+HCOO]- 363.15213 187.5
[M+CH3COO]- 377.16778 208.4
[M+Na-2H]- 339.12860 168.9
[M]+ 318.15338 179.3
[M]- 318.15448 179.3
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