CID 498376

1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-n-methyl-1,2,4-triazole-3-carboxamidine

Structural Information

Molecular Formula
C9H15N5O4
SMILES
CN=C(C1=NN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N
InChI
InChI=1S/C9H15N5O4/c1-11-7(10)8-12-3-14(13-8)9-6(17)5(16)4(2-15)18-9/h3-6,9,15-17H,2H2,1H3,(H2,10,11)/t4-,5-,6-,9-/m1/s1
InChIKey
BDCXWKXMJHDZGE-MWKIOEHESA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methyl-1,2,4-triazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

257.1124 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11968 156.3
[M+Na]+ 280.10162 163.2
[M-H]- 256.10512 157.9
[M+NH4]+ 275.14622 169.3
[M+K]+ 296.07556 162.1
[M+H-H2O]+ 240.10966 148.4
[M+HCOO]- 302.11060 174.5
[M+CH3COO]- 316.12625 194.1
[M+Na-2H]- 278.08707 155.9
[M]+ 257.11185 154.2
[M]- 257.11295 154.2
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.