CID 105813

67846-63-3

Structural Information

Molecular Formula
C16H30N4O10
SMILES
C(COCN1C2C(N(C1=O)COCCO)N(C(=O)N2COCCO)COCCO)O
InChI
InChI=1S/C16H30N4O10/c21-1-5-27-9-17-13-14(19(15(17)25)11-29-7-3-23)20(12-30-8-4-24)16(26)18(13)10-28-6-2-22/h13-14,21-24H,1-12H2
InChIKey
NKPQXGFVCNENAF-UHFFFAOYSA-N
Compound name
1,3,4,6-tetrakis(2-hydroxyethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

438.1962 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.20348 193.3
[M+Na]+ 461.18542 197.0
[M-H]- 437.18892 186.9
[M+NH4]+ 456.23002 199.2
[M+K]+ 477.15936 196.0
[M+H-H2O]+ 421.19346 185.8
[M+HCOO]- 483.19440 203.1
[M+CH3COO]- 497.21005 220.4
[M+Na-2H]- 459.17087 189.6
[M]+ 438.19565 201.4
[M]- 438.19675 201.4
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

No patent data available for this compound.