CID 5272745

Chembl3142975

Structural Information

Molecular Formula
C10H14ClN3O4
SMILES
C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Cl)CO)O
InChI
InChI=1S/C10H14ClN3O4/c1-4-7(16)6(3-15)18-9(4)14-2-5(11)8(12)13-10(14)17/h2,4,6-7,9,15-16H,3H2,1H3,(H2,12,13,17)/t4-,6+,7-,9+/m0/s1
InChIKey
CQNZCIBJFVYWQD-WOPPDYDQSA-N
Compound name
4-amino-5-chloro-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0673 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07458 159.9
[M+Na]+ 298.05652 170.4
[M-H]- 274.06002 162.7
[M+NH4]+ 293.10112 173.6
[M+K]+ 314.03046 166.4
[M+H-H2O]+ 258.06456 153.5
[M+HCOO]- 320.06550 173.5
[M+CH3COO]- 334.08115 194.7
[M+Na-2H]- 296.04197 159.9
[M]+ 275.06675 161.0
[M]- 275.06785 161.0
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.