CID 3006680

1-((2s,3s,4r,5s)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-imidazole-4,5-dicarbonitrile

Structural Information

Molecular Formula
C10H10N4O4
SMILES
C1=NC(=C(N1[C@@H]2[C@H]([C@H]([C@@H](O2)CO)O)O)C#N)C#N
InChI
InChI=1S/C10H10N4O4/c11-1-5-6(2-12)14(4-13-5)10-9(17)8(16)7(3-15)18-10/h4,7-10,15-17H,3H2/t7-,8-,9-,10-/m0/s1
InChIKey
NIHVTHOGMLJXBD-XKNYDFJKSA-N
Compound name
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.0702 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.07748 154.8
[M+Na]+ 273.05942 164.3
[M-H]- 249.06292 155.3
[M+NH4]+ 268.10402 164.0
[M+K]+ 289.03336 161.6
[M+H-H2O]+ 233.06746 138.2
[M+HCOO]- 295.06840 162.8
[M+CH3COO]- 309.08405 217.2
[M+Na-2H]- 271.04487 153.4
[M]+ 250.06965 146.1
[M]- 250.07075 146.1
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.