CID 5271265

N^4-methyl-mmdcyd

Structural Information

Molecular Formula
C13H21N3O4
SMILES
CNC1=NC(=O)N(C=C1COC)[C@@H]2C[C@@H]([C@H](C2)O)CO
InChI
InChI=1S/C13H21N3O4/c1-14-12-9(7-20-2)5-16(13(19)15-12)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
KZDHRKBPYGNLLU-IEBDPFPHSA-N
Compound name
1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methoxymethyl)-4-(methylamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.1532 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16048 164.1
[M+Na]+ 306.14242 171.5
[M-H]- 282.14592 166.1
[M+NH4]+ 301.18702 177.9
[M+K]+ 322.11636 168.2
[M+H-H2O]+ 266.15046 156.2
[M+HCOO]- 328.15140 182.9
[M+CH3COO]- 342.16705 198.9
[M+Na-2H]- 304.12787 164.4
[M]+ 283.15265 164.3
[M]- 283.15375 164.3
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.