CID 515221

2-(6-amino-purin-9-yl)-5-dihydroxymethyl-tetrahydro-furan-3,4-diol

Structural Information

Molecular Formula
C10H13N5O5
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)C(O)O)O)O)N
InChI
InChI=1S/C10H13N5O5/c11-7-3-8(13-1-12-7)15(2-14-3)9-5(17)4(16)6(20-9)10(18)19/h1-2,4-6,9-10,16-19H,(H2,11,12,13)/t4-,5-,6-,9+/m0/s1
InChIKey
AHPAXCFPGIYLKV-WWSLTDMBSA-N
Compound name
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-(dihydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.09167 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09895 159.8
[M+Na]+ 306.08089 168.9
[M-H]- 282.08439 159.5
[M+NH4]+ 301.12549 170.6
[M+K]+ 322.05483 166.4
[M+H-H2O]+ 266.08893 152.5
[M+HCOO]- 328.08987 173.5
[M+CH3COO]- 342.10552 169.7
[M+Na-2H]- 304.06634 160.3
[M]+ 283.09112 159.0
[M]- 283.09222 159.0
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.