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]+ 252.10912 153.8
[M+Na]+ 274.09106 165.4
[M+NH4]+ 269.13566 159.2
[M+K]+ 290.06500 163.4
[M-H]- 250.09456 155.4
[M+Na-2H]- 272.07651 158.0
[M]+ 251.10129 155.4
[M]- 251.10239 155.4
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.