CID 479690

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

Structural Information

Molecular Formula
C10H13IN2O5
SMILES
COC(=O)C1=NN(C=C1I)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C10H13IN2O5/c1-17-10(16)9-5(11)3-13(12-9)8-2-6(15)7(4-14)18-8/h3,6-8,14-15H,2,4H2,1H3/t6-,7+,8+/m0/s1
InChIKey
PKFYNBCRWYOGIG-XLPZGREQSA-N
Compound name
methyl 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iodopyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.9869 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.99418 164.5
[M+Na]+ 390.97612 165.4
[M-H]- 366.97962 160.6
[M+NH4]+ 386.02072 174.9
[M+K]+ 406.95006 170.5
[M+H-H2O]+ 350.98416 154.7
[M+HCOO]- 412.98510 177.4
[M+CH3COO]- 427.00075 197.0
[M+Na-2H]- 388.96157 151.9
[M]+ 367.98635 163.5
[M]- 367.98745 163.5
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.