CID 476599

6-methyl-4-phenylpyrazolo[4,5-d]1,2,3-triazole-2-yl-.beta.-d-ribofuranose

Structural Information

Molecular Formula
C15H17N5O4
SMILES
CC1=NN(C2=NN(N=C12)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C4=CC=CC=C4
InChI
InChI=1S/C15H17N5O4/c1-8-11-14(19(16-8)9-5-3-2-4-6-9)18-20(17-11)15-13(23)12(22)10(7-21)24-15/h2-6,10,12-13,15,21-23H,7H2,1H3/t10-,12-,13-,15-/m1/s1
InChIKey
QSXKAMFRVSJYRG-BPGGGUHBSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methyl-4-phenylpyrazolo[3,4-d]triazol-2-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.12805 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13533 173.9
[M+Na]+ 354.11727 184.5
[M-H]- 330.12077 177.9
[M+NH4]+ 349.16187 184.5
[M+K]+ 370.09121 180.8
[M+H-H2O]+ 314.12531 166.1
[M+HCOO]- 376.12625 188.7
[M+CH3COO]- 390.14190 184.2
[M+Na-2H]- 352.10272 171.3
[M]+ 331.12750 176.7
[M]- 331.12860 176.7
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.