CID 510573

Chembl322925

Structural Information

Molecular Formula
C12H17N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C)O
InChI
InChI=1S/C12H17N3O5/c1-6-5-15(12(19)14-11(6)18)10-3-8(17)9(20-10)4-13-7(2)16/h5,8-10,17H,3-4H2,1-2H3,(H,13,16)(H,14,18,19)/t8-,9+,10+/m0/s1
InChIKey
LZNCDIRWZZLADL-IVZWLZJFSA-N
Compound name
N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

283.11682 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.124096 162.4
[M+Na]+ 306.106038 170.6
[M-H]- 282.109544 165.4
[M+NH4]+ 301.150643 174.7
[M+K]+ 322.079978 168.2
[M+H-H2O]+ 266.114080 154.9
[M+HCOO]- 328.115021 180.2
[M+CH3COO]- 342.130671 197.4
[M+Na-2H]- 304.091486 162.7
[M]+ 283.11627142 162.2
[M]- 283.11736858 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.