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

5
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

literature stripe

Patent stripe

patents stripe