CID 498295

Nsc622559

Structural Information

Molecular Formula
C10H15N3O6
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O
InChI
InChI=1S/C10H15N3O6/c11-5-1-2-13(10(18)12-5)9-7(17)6(16)8(19-9)4(15)3-14/h1-2,4,6-9,14-17H,3H2,(H2,11,12,18)/t4-,6-,7-,8-,9-/m1/s1
InChIKey
FRPKULGZVITZAI-GPMKSPRZSA-N
Compound name
4-amino-1-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0961 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10338 158.6
[M+Na]+ 296.08532 165.8
[M-H]- 272.08882 158.7
[M+NH4]+ 291.12992 169.5
[M+K]+ 312.05926 163.9
[M+H-H2O]+ 256.09336 151.4
[M+HCOO]- 318.09430 173.2
[M+CH3COO]- 332.10995 191.3
[M+Na-2H]- 294.07077 158.1
[M]+ 273.09555 156.1
[M]- 273.09665 156.1
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.