CID 515514

Chembl3274498

Structural Information

Molecular Formula
C8H13N5O5
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=NN=N2)CC(=O)N)O)O)O
InChI
InChI=1S/C8H13N5O5/c9-4(15)1-5-10-11-12-13(5)8-7(17)6(16)3(2-14)18-8/h3,6-8,14,16-17H,1-2H2,(H2,9,15)/t3-,6-,7-,8-/m1/s1
InChIKey
SFNULLGGLADPFC-YXZULKJRSA-N
Compound name
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]tetrazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.09167 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09895 155.2
[M+Na]+ 282.08089 162.6
[M-H]- 258.08439 154.3
[M+NH4]+ 277.12549 166.2
[M+K]+ 298.05483 161.4
[M+H-H2O]+ 242.08893 147.2
[M+HCOO]- 304.08987 170.0
[M+CH3COO]- 318.10552 189.6
[M+Na-2H]- 280.06634 154.1
[M]+ 259.09112 153.7
[M]- 259.09222 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.