CID 512172

5-(dimethylamino)-1-[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H19N3O4
SMILES
CN(C)C1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](C2)O)CO
InChI
InChI=1S/C12H19N3O4/c1-14(2)9-5-15(12(19)13-11(9)18)8-3-7(6-16)10(17)4-8/h5,7-8,10,16-17H,3-4,6H2,1-2H3,(H,13,18,19)/t7-,8-,10+/m1/s1
InChIKey
VPOFQCMYQVSGLF-MRTMQBJTSA-N
Compound name
5-(dimethylamino)-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.13754 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14482 159.2
[M+Na]+ 292.12676 167.2
[M-H]- 268.13026 161.6
[M+NH4]+ 287.17136 173.5
[M+K]+ 308.10070 164.0
[M+H-H2O]+ 252.13480 151.9
[M+HCOO]- 314.13574 177.6
[M+CH3COO]- 328.15139 196.2
[M+Na-2H]- 290.11221 158.8
[M]+ 269.13699 157.8
[M]- 269.13809 157.8
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.