CID 494285

Nsc361904

Structural Information

Molecular Formula
C11H13N2O6S
SMILES
C1=CSC2=[N+](C(=CC(=O)N21)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H12N2O6S/c14-4-5-8(17)9(18)10(19-5)13-7(16)3-6(15)12-1-2-20-11(12)13/h1-3,5,8-10,14,17-18H,4H2/p+1/t5-,8-,9-,10-/m1/s1
InChIKey
XXNXNUITLCTFNR-UUOKUNOPSA-O
Compound name
8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.04944 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05672 161.0
[M+Na]+ 324.03866 171.7
[M-H]- 300.04216 164.0
[M+NH4]+ 319.08326 175.1
[M+K]+ 340.01260 162.9
[M+H-H2O]+ 284.04670 159.3
[M+HCOO]- 346.04764 173.0
[M+CH3COO]- 360.06329 183.5
[M+Na-2H]- 322.02411 163.4
[M]+ 301.04889 163.8
[M]- 301.04999 163.8
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.