CID 85216

15968-37-3

Structural Information

Molecular Formula
C24H46N4O6
SMILES
CCCCOCN1C2C(N(C1=O)COCCCC)N(C(=O)N2COCCCC)COCCCC
InChI
InChI=1S/C24H46N4O6/c1-5-9-13-31-17-25-21-22(27(23(25)29)19-33-15-11-7-3)28(20-34-16-12-8-4)24(30)26(21)18-32-14-10-6-2/h21-22H,5-20H2,1-4H3
InChIKey
UUOUGRUMSRMJHY-UHFFFAOYSA-N
Compound name
1,3,4,6-tetrakis(butoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

554
Patents

486.34174 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.34902 224.8
[M+Na]+ 509.33096 229.2
[M+NH4]+ 504.37556 225.5
[M+K]+ 525.30490 227.8
[M-H]- 485.33446 219.9
[M+Na-2H]- 507.31641 218.7
[M]+ 486.34119 223.2
[M]- 486.34229 223.2
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