CID 453766

138787-13-0

Structural Information

Molecular Formula
C15H23N5O5
SMILES
CCCCCN1C(=O)C2=C(C(=NN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C)N=N1
InChI
InChI=1S/C15H23N5O5/c1-3-4-5-6-19-14(24)11-10(16-18-19)8(2)17-20(11)15-13(23)12(22)9(7-21)25-15/h9,12-13,15,21-23H,3-7H2,1-2H3/t9-,12-,13-,15-/m1/s1
InChIKey
MUQBKLXSDRHXDI-QGMIFYJMSA-N
Compound name
5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3-pentylpyrazolo[4,3-d]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.16992 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17720 184.5
[M+Na]+ 376.15914 195.0
[M-H]- 352.16264 184.3
[M+NH4]+ 371.20374 192.9
[M+K]+ 392.13308 191.0
[M+H-H2O]+ 336.16718 176.3
[M+HCOO]- 398.16812 197.1
[M+CH3COO]- 412.18377 208.9
[M+Na-2H]- 374.14459 182.1
[M]+ 353.16937 189.6
[M]- 353.17047 189.6
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.