CID 22944844

220140-29-4

Structural Information

Molecular Formula
C16H30N4O6
SMILES
CCCC12C(N(C(=O)N1COC)COC)(N(C(=O)N2COC)COC)C
InChI
InChI=1S/C16H30N4O6/c1-7-8-16-15(2,17(9-23-3)13(21)19(16)11-25-5)18(10-24-4)14(22)20(16)12-26-6/h7-12H2,1-6H3
InChIKey
FPLHXUPONQTGOH-UHFFFAOYSA-N
Compound name
1,3,4,6-tetrakis(methoxymethyl)-6a-methyl-3a-propylimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

374.21652 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.22380 180.3
[M+Na]+ 397.20574 189.5
[M-H]- 373.20924 179.9
[M+NH4]+ 392.25034 196.4
[M+K]+ 413.17968 188.8
[M+H-H2O]+ 357.21378 174.7
[M+HCOO]- 419.21472 195.7
[M+CH3COO]- 433.23037 219.0
[M+Na-2H]- 395.19119 180.2
[M]+ 374.21597 191.0
[M]- 374.21707 191.0
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