CID 5273497

Schembl4429276

Structural Information

Molecular Formula
C12H17N5O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NOC)CO)O)O
InChI
InChI=1S/C12H17N5O5/c1-12(20)8(19)6(3-18)22-11(12)17-5-15-7-9(16-21-2)13-4-14-10(7)17/h4-6,8,11,18-20H,3H2,1-2H3,(H,13,14,16)/t6-,8-,11-,12-/m1/s1
InChIKey
NOJZZORERFFNDK-YUTYNTIBSA-N
Compound name
(2R,3R,4R,5R)-5-(hydroxymethyl)-2-[6-(methoxyamino)purin-9-yl]-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

311.12296 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13024 165.7
[M+Na]+ 334.11218 175.7
[M-H]- 310.11568 166.9
[M+NH4]+ 329.15678 178.4
[M+K]+ 350.08612 173.5
[M+H-H2O]+ 294.12022 158.4
[M+HCOO]- 356.12116 181.9
[M+CH3COO]- 370.13681 200.0
[M+Na-2H]- 332.09763 169.3
[M]+ 311.12241 169.3
[M]- 311.12351 169.3
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.