CID 165413684

1-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-4-pyrrolidin-1-yl-pyrimidin-2-one

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CC1=CN(C(=O)N=C1N2CCCC2)[C@H]3C[C@H]([C@H](O3)CO)O
InChI
InChI=1S/C14H21N3O4/c1-9-7-17(12-6-10(19)11(8-18)21-12)14(20)15-13(9)16-4-2-3-5-16/h7,10-12,18-19H,2-6,8H2,1H3/t10-,11-,12-/m1/s1
InChIKey
RIUXMWGRUNVQMN-IJLUTSLNSA-N
Compound name
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1532 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 167.8
[M+Na]+ 318.14242 174.9
[M-H]- 294.14592 172.2
[M+NH4]+ 313.18702 180.0
[M+K]+ 334.11636 172.2
[M+H-H2O]+ 278.15046 159.7
[M+HCOO]- 340.15140 182.4
[M+CH3COO]- 354.16705 196.6
[M+Na-2H]- 316.12787 164.9
[M]+ 295.15265 165.8
[M]- 295.15375 165.8
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.