CID 490263

Schembl9699844

Structural Information

Molecular Formula
C12H15N3O6
SMILES
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C#CCO)C(=O)N
InChI
InChI=1S/C12H15N3O6/c13-11(20)8-6(2-1-3-16)15(5-14-8)12-10(19)9(18)7(4-17)21-12/h5,7,9-10,12,16-19H,3-4H2,(H2,13,20)/t7-,9-,10-,12-/m1/s1
InChIKey
QIKBJRGAWGHCIN-UGKPPGOTSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-hydroxyprop-1-ynyl)imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

297.0961 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10338 164.3
[M+Na]+ 320.08532 172.3
[M-H]- 296.08882 162.0
[M+NH4]+ 315.12992 174.1
[M+K]+ 336.05926 169.3
[M+H-H2O]+ 280.09336 151.1
[M+HCOO]- 342.09430 173.7
[M+CH3COO]- 356.10995 201.0
[M+Na-2H]- 318.07077 160.3
[M]+ 297.09555 156.7
[M]- 297.09665 156.7
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.