CID 135625329

N(2)-tetrahydropyranyl-7-hydroxyguanine

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C1CCOC(C1)NC2=NC3=C(C(=O)N2)N(C=N3)O
InChI
InChI=1S/C10H13N5O3/c16-9-7-8(11-5-15(7)17)13-10(14-9)12-6-3-1-2-4-18-6/h5-6,17H,1-4H2,(H2,12,13,14,16)
InChIKey
WROXEVOGBLPWDQ-UHFFFAOYSA-N
Compound name
7-hydroxy-2-(oxan-2-ylamino)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.10184 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.109116 153.2
[M+Na]+ 274.091058 162.0
[M-H]- 250.094564 154.1
[M+NH4]+ 269.135663 164.6
[M+K]+ 290.064998 158.2
[M+H-H2O]+ 234.099100 143.9
[M+HCOO]- 296.100041 169.1
[M+CH3COO]- 310.115691 163.7
[M+Na-2H]- 272.076506 159.4
[M]+ 251.10129142 150.8
[M]- 251.10238858 150.8
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

No patent data available for this compound.