CID 3007123

5-chloro-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1h-imidazole-4-carboxamide

Structural Information

Molecular Formula
C9H12ClN3O5
SMILES
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)Cl)C(=O)N
InChI
InChI=1S/C9H12ClN3O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1
InChIKey
VLDAUUKLXGFGSW-UUOKFMHZSA-N
Compound name
5-chloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.04654 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05382 158.2
[M+Na]+ 300.03576 166.8
[M-H]- 276.03926 159.8
[M+NH4]+ 295.08036 172.4
[M+K]+ 316.00970 163.9
[M+H-H2O]+ 260.04380 152.7
[M+HCOO]- 322.04474 170.7
[M+CH3COO]- 336.06039 191.6
[M+Na-2H]- 298.02121 156.0
[M]+ 277.04599 158.2
[M]- 277.04709 158.2
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.