CID 5272850

2,4(1h,3h)-pyrimidinedione, 1-[2,5-dideoxy-5-[(1-oxopentyl)amino]-.beta.-d-erythro-pentofuranosyl]-5-methyl-

Structural Information

Molecular Formula
C15H23N3O5
SMILES
CCCCC(=O)NC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O
InChI
InChI=1S/C15H23N3O5/c1-3-4-5-12(20)16-7-11-10(19)6-13(23-11)18-8-9(2)14(21)17-15(18)22/h8,10-11,13,19H,3-7H2,1-2H3,(H,16,20)(H,17,21,22)/t10-,11+,13+/m0/s1
InChIKey
LDVBAESUGCTEDV-DMDPSCGWSA-N
Compound name
N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.16376 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17104 175.7
[M+Na]+ 348.15298 182.6
[M-H]- 324.15648 178.2
[M+NH4]+ 343.19758 186.3
[M+K]+ 364.12692 179.6
[M+H-H2O]+ 308.16102 167.7
[M+HCOO]- 370.16196 192.5
[M+CH3COO]- 384.17761 206.3
[M+Na-2H]- 346.13843 174.5
[M]+ 325.16321 176.6
[M]- 325.16431 176.6
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.