CID 453767

61241-10-9

Structural Information

Molecular Formula
C10H16N4O5
SMILES
CC1=C(C(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N)N
InChI
InChI=1S/C10H16N4O5/c1-3-5(11)6(9(12)18)13-14(3)10-8(17)7(16)4(2-15)19-10/h4,7-8,10,15-17H,2,11H2,1H3,(H2,12,18)/t4-,7-,8-,10-/m1/s1
InChIKey
OLSKLMOLWIYXET-GUJHRGIASA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.11206 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11934 160.3
[M+Na]+ 295.10128 167.7
[M-H]- 271.10478 161.9
[M+NH4]+ 290.14588 173.4
[M+K]+ 311.07522 166.0
[M+H-H2O]+ 255.10932 153.8
[M+HCOO]- 317.11026 177.3
[M+CH3COO]- 331.12591 197.5
[M+Na-2H]- 293.08673 157.0
[M]+ 272.11151 157.6
[M]- 272.11261 157.6
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.