CID 5270502

Purine-n1-oxide, 6-methylamino-9-b-d-ribo-furanosyl-

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CN=C1C2=C(N=CN1O)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O5/c1-12-9-6-10(14-4-16(9)20)15(3-13-6)11-8(19)7(18)5(2-17)21-11/h3-5,7-8,11,17-20H,2H2,1H3/t5-,7-,8+,11-/m1/s1
InChIKey
WSNFPBJZRWYJBW-ICQCTTRCSA-N
Compound name
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1-hydroxy-6-methyliminopurin-9-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.10733 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 164.6
[M+Na]+ 320.09655 175.2
[M-H]- 296.10005 166.1
[M+NH4]+ 315.14115 176.1
[M+K]+ 336.07049 172.3
[M+H-H2O]+ 280.10459 157.1
[M+HCOO]- 342.10553 181.1
[M+CH3COO]- 356.12118 197.7
[M+Na-2H]- 318.08200 166.2
[M]+ 297.10678 166.9
[M]- 297.10788 166.9
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.