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 166.0
[M+Na]+ 321.11694 173.8
[M-H]- 297.12044 171.9
[M+NH4]+ 316.16154 181.2
[M+K]+ 337.09088 174.7
[M+H-H2O]+ 281.12498 161.9
[M+HCOO]- 343.12592 182.4
[M+CH3COO]- 357.14157 205.1
[M+Na-2H]- 319.10239 165.3
[M]+ 298.12717 167.4
[M]- 298.12827 167.4
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.