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]+ 268.10402 158.1
[M+Na]+ 290.08596 170.0
[M-H]- 266.08946 159.2
[M+NH4]+ 285.13056 170.3
[M+K]+ 306.05990 167.1
[M+H-H2O]+ 250.09400 149.9
[M+HCOO]- 312.09494 173.9
[M+CH3COO]- 326.11059 169.6
[M+Na-2H]- 288.07141 159.9
[M]+ 267.09619 161.2
[M]- 267.09729 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.