CID 490264

Schembl9697499

Structural Information

Molecular Formula
C13H17N3O6
SMILES
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C#CCCO)C(=O)N
InChI
InChI=1S/C13H17N3O6/c14-12(21)9-7(3-1-2-4-17)16(6-15-9)13-11(20)10(19)8(5-18)22-13/h6,8,10-11,13,17-20H,2,4-5H2,(H2,14,21)/t8-,10-,11-,13-/m1/s1
InChIKey
ZMKBZMLYCRACQW-UORFTKCHSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-hydroxybut-1-ynyl)imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

311.11172 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11900 167.9
[M+Na]+ 334.10094 175.6
[M-H]- 310.10444 165.5
[M+NH4]+ 329.14554 177.3
[M+K]+ 350.07488 172.4
[M+H-H2O]+ 294.10898 154.6
[M+HCOO]- 356.10992 177.1
[M+CH3COO]- 370.12557 203.6
[M+Na-2H]- 332.08639 163.6
[M]+ 311.11117 160.7
[M]- 311.11227 160.7
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.