CID 135446940

2-amino-9-[(4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]-1h-purin-6-one

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1C([C@@H]([C@H](O1)CO)O)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C10H13N5O4/c11-10-13-8-6(9(18)14-10)12-3-15(8)4-2-19-5(1-16)7(4)17/h3-5,7,16-17H,1-2H2,(H3,11,13,14,18)/t4?,5-,7+/m1/s1
InChIKey
DEEZTMBYCAECGS-POZMTGOASA-N
Compound name
2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.09674 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 157.1
[M+Na]+ 290.08596 167.6
[M-H]- 266.08946 157.8
[M+NH4]+ 285.13056 169.3
[M+K]+ 306.05990 163.8
[M+H-H2O]+ 250.09400 149.5
[M+HCOO]- 312.09494 173.2
[M+CH3COO]- 326.11059 167.9
[M+Na-2H]- 288.07141 158.7
[M]+ 267.09619 156.5
[M]- 267.09729 156.5
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

No patent data available for this compound.