CID 3007778

5-methoxy-methyl-arau

Structural Information

Molecular Formula
C11H16N2O7
SMILES
COCC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H16N2O7/c1-19-4-5-2-13(11(18)12-9(5)17)10-8(16)7(15)6(3-14)20-10/h2,6-8,10,14-16H,3-4H2,1H3,(H,12,17,18)/t6-,7-,8+,10-/m1/s1
InChIKey
PDXQSLIBLQMPJS-BDNRQGISSA-N
Compound name
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.09576 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10304 160.1
[M+Na]+ 311.08498 169.0
[M-H]- 287.08848 160.7
[M+NH4]+ 306.12958 171.2
[M+K]+ 327.05892 166.6
[M+H-H2O]+ 271.09302 153.2
[M+HCOO]- 333.09396 175.2
[M+CH3COO]- 347.10961 191.3
[M+Na-2H]- 309.07043 160.2
[M]+ 288.09521 161.4
[M]- 288.09631 161.4
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.