CID 494651

Nsc628496

Structural Information

Molecular Formula
C10H13N5O4
SMILES
CC1=CN(C(=O)N2C1=NN=N2)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C10H13N5O4/c1-5-3-14(8-2-6(17)7(4-16)19-8)10(18)15-9(5)11-12-13-15/h3,6-8,16-17H,2,4H2,1H3/t6-,7+,8+/m0/s1
InChIKey
UWFUAEJIZCCNJO-XLPZGREQSA-N
Compound name
6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-methyltetrazolo[1,5-c]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09674 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.104016 158.1
[M+Na]+ 290.085958 170.0
[M-H]- 266.089464 159.2
[M+NH4]+ 285.130563 170.3
[M+K]+ 306.059898 167.1
[M+H-H2O]+ 250.094000 149.9
[M+HCOO]- 312.094941 173.9
[M+CH3COO]- 326.110591 169.6
[M+Na-2H]- 288.071406 159.9
[M]+ 267.09619142 161.2
[M]- 267.09728858 161.2
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.