CID 135480746

1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-n-hydroxy-1h-[1,2,4]triazole-3-carboxamidine

Structural Information

Molecular Formula
C8H13N5O5
SMILES
C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)/C(=N\O)/N
InChI
InChI=1S/C8H13N5O5/c9-6(12-17)7-10-2-13(11-7)8-5(16)4(15)3(1-14)18-8/h2-5,8,14-17H,1H2,(H2,9,12)/t3-,4-,5-,8-/m1/s1
InChIKey
GJKUCSVDEQQCMH-AFCXAGJDSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxy-1,2,4-triazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.09167 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09895 154.0
[M+Na]+ 282.08089 160.5
[M-H]- 258.08439 154.4
[M+NH4]+ 277.12549 166.0
[M+K]+ 298.05483 159.5
[M+H-H2O]+ 242.08893 146.3
[M+HCOO]- 304.08987 171.1
[M+CH3COO]- 318.10552 191.5
[M+Na-2H]- 280.06634 153.9
[M]+ 259.09112 151.2
[M]- 259.09222 151.2
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.