CID 3006034

1-((3's,4'r)-3',5'-dihydroxy-4'-methoxypentyl)-5-methyl-(1h,3h)-primidin-2,4-dione

Structural Information

Molecular Formula
C11H18N2O5
SMILES
CC1=CN(C(=O)NC1=O)CC[C@@H]([C@@H](CO)OC)O
InChI
InChI=1S/C11H18N2O5/c1-7-5-13(11(17)12-10(7)16)4-3-8(15)9(6-14)18-2/h5,8-9,14-15H,3-4,6H2,1-2H3,(H,12,16,17)/t8-,9+/m0/s1
InChIKey
ZPSJGVQCNLYKMT-DTWKUNHWSA-N
Compound name
1-[(3S,4R)-3,5-dihydroxy-4-methoxypentyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.12158 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12886 156.0
[M+Na]+ 281.11080 163.6
[M-H]- 257.11430 153.3
[M+NH4]+ 276.15540 168.4
[M+K]+ 297.08474 160.9
[M+H-H2O]+ 241.11884 148.9
[M+HCOO]- 303.11978 172.1
[M+CH3COO]- 317.13543 189.7
[M+Na-2H]- 279.09625 157.2
[M]+ 258.12103 157.7
[M]- 258.12213 157.7
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.