CID 5271819

356782-84-8

Structural Information

Molecular Formula
C10H13N3O6
SMILES
C1=CN(C(=O)C(=N1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H13N3O6/c11-8(17)5-9(18)13(2-1-12-5)10-7(16)6(15)4(3-14)19-10/h1-2,4,6-7,10,14-16H,3H2,(H2,11,17)/t4-,6-,7-,10-/m1/s1
InChIKey
XVXWUBIIHFDOJO-KQYNXXCUSA-N
Compound name
4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxopyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

41
Patents

271.08044 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08772 157.0
[M+Na]+ 294.06966 165.0
[M-H]- 270.07316 158.4
[M+NH4]+ 289.11426 168.6
[M+K]+ 310.04360 163.2
[M+H-H2O]+ 254.07770 149.7
[M+HCOO]- 316.07864 173.3
[M+CH3COO]- 330.09429 192.6
[M+Na-2H]- 292.05511 157.0
[M]+ 271.07989 155.6
[M]- 271.08099 155.6
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