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 153.2
[M+Na]+ 274.09106 162.0
[M-H]- 250.09456 154.1
[M+NH4]+ 269.13566 164.6
[M+K]+ 290.06500 158.2
[M+H-H2O]+ 234.09910 143.9
[M+HCOO]- 296.10004 169.1
[M+CH3COO]- 310.11569 163.7
[M+Na-2H]- 272.07651 159.4
[M]+ 251.10129 150.8
[M]- 251.10239 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.