CID 479691

4-iodo-3-carboxamido-1-(2'-deoxy-.beta.-d-ribofuranosyl)pyrazole

Structural Information

Molecular Formula
C9H12IN3O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=N2)C(=O)N)I)CO)O
InChI
InChI=1S/C9H12IN3O4/c10-4-2-13(12-8(4)9(11)16)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,16)/t5-,6+,7+/m0/s1
InChIKey
NABFOMDLEZWFDC-RRKCRQDMSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iodopyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.98724 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.99452 164.3
[M+Na]+ 375.97646 164.8
[M-H]- 351.97996 160.1
[M+NH4]+ 371.02106 174.7
[M+K]+ 391.95040 169.2
[M+H-H2O]+ 335.98450 154.1
[M+HCOO]- 397.98544 177.6
[M+CH3COO]- 412.00109 197.1
[M+Na-2H]- 373.96191 151.3
[M]+ 352.98669 160.1
[M]- 352.98779 160.1
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.