CID 136418107

Schembl9548656

Structural Information

Molecular Formula
C11H15N5O4
SMILES
C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C2N=C(NC3=O)N)O)CO
InChI
InChI=1S/C11H15N5O4/c1-11(3-17)5(18)2-6(20-11)16-4-13-7-8(16)14-10(12)15-9(7)19/h4-6,17-18H,2-3H2,1H3,(H3,12,14,15,19)/t5-,6+,11+/m0/s1
InChIKey
PSSWAMIKQRCZJC-WGDKSQQYSA-N
Compound name
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

281.1124 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 160.2
[M+Na]+ 304.10162 171.3
[M-H]- 280.10512 161.1
[M+NH4]+ 299.14622 174.0
[M+K]+ 320.07556 167.6
[M+H-H2O]+ 264.10966 153.2
[M+HCOO]- 326.11060 176.1
[M+CH3COO]- 340.12625 171.1
[M+Na-2H]- 302.08707 162.8
[M]+ 281.11185 160.4
[M]- 281.11295 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

patents stripe