CID 135434774

Schembl10516308

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C1[C@@H]([C@H]([C@@H]1N2C=NC3=C2N=C(NC3=O)N)O)CO
InChI
InChI=1S/C10H13N5O3/c11-10-13-8-6(9(18)14-10)12-3-15(8)5-1-4(2-16)7(5)17/h3-5,7,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5-,7-/m1/s1
InChIKey
QNTWIRKOQOQBKS-WYDQCIBASA-N
Compound name
2-amino-9-[(1R,2R,3R)-2-hydroxy-3-(hydroxymethyl)cyclobutyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.10184 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 158.2
[M+Na]+ 274.09106 167.3
[M-H]- 250.09456 157.6
[M+NH4]+ 269.13566 164.4
[M+K]+ 290.06500 165.3
[M+H-H2O]+ 234.09910 144.5
[M+HCOO]- 296.10004 173.6
[M+CH3COO]- 310.11569 193.2
[M+Na-2H]- 272.07651 160.5
[M]+ 251.10129 165.3
[M]- 251.10239 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe