CID 5271268

N^4-methoxy-mmdcyd

Structural Information

Molecular Formula
C13H21N3O5
SMILES
COCC1=CN(C(=O)N=C1NOC)[C@@H]2C[C@@H]([C@H](C2)O)CO
InChI
InChI=1S/C13H21N3O5/c1-20-7-9-5-16(13(19)14-12(9)15-21-2)10-3-8(6-17)11(18)4-10/h5,8,10-11,17-18H,3-4,6-7H2,1-2H3,(H,14,15,19)/t8-,10-,11+/m1/s1
InChIKey
XHUXISYTHYHQJM-IEBDPFPHSA-N
Compound name
1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-(methoxyamino)-5-(methoxymethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.14813 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15541 166.1
[M+Na]+ 322.13735 173.2
[M-H]- 298.14085 168.0
[M+NH4]+ 317.18195 179.1
[M+K]+ 338.11129 170.6
[M+H-H2O]+ 282.14539 158.0
[M+HCOO]- 344.14633 185.1
[M+CH3COO]- 358.16198 201.2
[M+Na-2H]- 320.12280 166.6
[M]+ 299.14758 167.7
[M]- 299.14868 167.7
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.