CID 498377

Nsc627413

Structural Information

Molecular Formula
C10H17N5O4
SMILES
CNC(=NC)C1=NN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H17N5O4/c1-11-8(12-2)9-13-4-15(14-9)10-7(18)6(17)5(3-16)19-10/h4-7,10,16-18H,3H2,1-2H3,(H,11,12)/t5-,6-,7-,10-/m1/s1
InChIKey
WUOMJIPZIDRAEN-DAGMQNCNSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N'-dimethyl-1,2,4-triazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.12805 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13533 160.9
[M+Na]+ 294.11727 167.4
[M-H]- 270.12077 162.8
[M+NH4]+ 289.16187 173.7
[M+K]+ 310.09121 166.4
[M+H-H2O]+ 254.12531 152.8
[M+HCOO]- 316.12625 179.3
[M+CH3COO]- 330.14190 196.8
[M+Na-2H]- 292.10272 161.0
[M]+ 271.12750 160.0
[M]- 271.12860 160.0
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.