CID 13578516

3676-69-5

Structural Information

Molecular Formula
C12H18N4O5
SMILES
CC1(OC2C(OC(C2O1)N3C=NC(=C3N)C(=O)N)CO)C
InChI
InChI=1S/C12H18N4O5/c1-12(2)20-7-5(3-17)19-11(8(7)21-12)16-4-15-6(9(16)13)10(14)18/h4-5,7-8,11,17H,3,13H2,1-2H3,(H2,14,18)
InChIKey
HUTXHGRHFXEXPQ-UHFFFAOYSA-N
Compound name
5-amino-1-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

298.12772 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13500 165.3
[M+Na]+ 321.11694 171.0
[M+NH4]+ 316.16154 170.8
[M+K]+ 337.09088 175.0
[M-H]- 297.12044 168.5
[M+Na-2H]- 319.10239 164.3
[M]+ 298.12717 166.5
[M]- 298.12827 166.5
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.