CID 5271807

Schembl6380619

Structural Information

Molecular Formula
C10H12ClN3O6
SMILES
C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N)Cl
InChI
InChI=1S/C10H12ClN3O6/c11-4-1-14(9(19)5(13-4)8(12)18)10-7(17)6(16)3(2-15)20-10/h1,3,6-7,10,15-17H,2H2,(H2,12,18)/t3-,6-,7-,10-/m1/s1
InChIKey
NCXOXDGBWRRFSI-KAFVXXCXSA-N
Compound name
6-chloro-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

0
References

20
Patents

305.04147 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04875 162.9
[M+Na]+ 328.03069 172.4
[M-H]- 304.03419 164.7
[M+NH4]+ 323.07529 174.3
[M+K]+ 344.00463 169.1
[M+H-H2O]+ 288.03873 156.7
[M+HCOO]- 350.03967 174.7
[M+CH3COO]- 364.05532 197.7
[M+Na-2H]- 326.01614 161.9
[M]+ 305.04092 163.9
[M]- 305.04202 163.9
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

patents stripe