CID 171185

Wyosine

Structural Information

Molecular Formula
C14H17N5O5
SMILES
CC1=CN2C(=O)C3=C(N(C2=N1)C)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C14H17N5O5/c1-6-3-18-12(23)8-11(17(2)14(18)16-6)19(5-15-8)13-10(22)9(21)7(4-20)24-13/h3,5,7,9-10,13,20-22H,4H2,1-2H3/t7-,9-,10-,13-/m1/s1
InChIKey
JCZSFCLRSONYLH-QYVSTXNMSA-N
Compound name
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6-dimethylimidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

6125
Patents

335.12296 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13024 176.2
[M+Na]+ 358.11218 189.8
[M-H]- 334.11568 179.0
[M+NH4]+ 353.15678 188.4
[M+K]+ 374.08612 186.1
[M+H-H2O]+ 318.12022 170.1
[M+HCOO]- 380.12116 191.2
[M+CH3COO]- 394.13681 187.4
[M+Na-2H]- 356.09763 174.2
[M]+ 335.12241 182.8
[M]- 335.12351 182.8
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

patents stripe