CID 24832736

Brn 0627743

Structural Information

Molecular Formula
C10H14N6O4
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O)N=CN(C2=N)O
InChI
InChI=1S/C10H14N6O4/c11-5-4(1-17)20-10(7(5)18)15-2-13-6-8(12)16(19)3-14-9(6)15/h2-5,7,10,12,17-19H,1,11H2/t4-,5-,7-,10-/m1/s1
InChIKey
JXFCJWXAJPVONT-QYYRPYCUSA-N
Compound name
(2R,3R,4S,5S)-4-amino-2-(1-hydroxy-6-iminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10767 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11495 161.2
[M+Na]+ 305.09689 171.6
[M-H]- 281.10039 162.5
[M+NH4]+ 300.14149 172.8
[M+K]+ 321.07083 167.9
[M+H-H2O]+ 265.10493 153.6
[M+HCOO]- 327.10587 178.3
[M+CH3COO]- 341.12152 171.8
[M+Na-2H]- 303.08234 163.0
[M]+ 282.10712 160.4
[M]- 282.10822 160.4
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.