CID 135538729

132062-74-9

Structural Information

Molecular Formula
C10H13N5O3S
SMILES
C1[C@H](O[C@H](CS1)N2C=NC3=C2N=C(NC3=O)N)CO
InChI
InChI=1S/C10H13N5O3S/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-3-19-2-5(1-16)18-6/h4-6,16H,1-3H2,(H3,11,13,14,17)/t5-,6-/m1/s1
InChIKey
ZYDLRIDAIHCBBM-PHDIDXHHSA-N
Compound name
2-amino-9-[(2R,6R)-6-(hydroxymethyl)-1,4-oxathian-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0739 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08118 159.9
[M+Na]+ 306.06312 170.3
[M-H]- 282.06662 161.0
[M+NH4]+ 301.10772 171.0
[M+K]+ 322.03706 165.4
[M+H-H2O]+ 266.07116 152.4
[M+HCOO]- 328.07210 170.7
[M+CH3COO]- 342.08775 170.1
[M+Na-2H]- 304.04857 162.0
[M]+ 283.07335 159.5
[M]- 283.07445 159.5
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.