CID 362946

Nsc627417

Structural Information

Molecular Formula
C9H13N3O4S
SMILES
C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=N)N
InChI
InChI=1S/C9H13N3O4S/c10-8(11)3-2-17-9(12-3)7-6(15)5(14)4(1-13)16-7/h2,4-7,13-15H,1H2,(H3,10,11)
InChIKey
CNBAZWIXBHHQEN-UHFFFAOYSA-N
Compound name
2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.06268 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06996 155.3
[M+Na]+ 282.05190 162.0
[M-H]- 258.05540 158.0
[M+NH4]+ 277.09650 170.8
[M+K]+ 298.02584 159.3
[M+H-H2O]+ 242.05994 149.9
[M+HCOO]- 304.06088 169.5
[M+CH3COO]- 318.07653 190.5
[M+Na-2H]- 280.03735 152.7
[M]+ 259.06213 153.0
[M]- 259.06323 153.0
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.