CID 3008133

89889-84-9

Structural Information

Molecular Formula
C15H22N4O5
SMILES
CCCCN1C=NC2=C(C1=O)N(N=C2C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C15H22N4O5/c1-3-4-5-18-7-16-10-8(2)17-19(11(10)14(18)23)15-13(22)12(21)9(6-20)24-15/h7,9,12-13,15,20-22H,3-6H2,1-2H3/t9-,12-,13-,15-/m1/s1
InChIKey
CFWCRQDOOCYJAD-QGMIFYJMSA-N
Compound name
6-butyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.15903 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16631 179.5
[M+Na]+ 361.14825 190.1
[M-H]- 337.15175 180.6
[M+NH4]+ 356.19285 189.9
[M+K]+ 377.12219 186.3
[M+H-H2O]+ 321.15629 172.0
[M+HCOO]- 383.15723 193.5
[M+CH3COO]- 397.17288 205.9
[M+Na-2H]- 359.13370 177.5
[M]+ 338.15848 184.2
[M]- 338.15958 184.2
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.