CID 6481837

2,4(1h,3h)-pyrimidinedione, 1-(2-deoxy-b-d-erythro-pentofuranosyl)-5-[(dimethylamino)methyl]-

Structural Information

Molecular Formula
C12H19N3O5
SMILES
CN(C)CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H19N3O5/c1-14(2)4-7-5-15(12(19)13-11(7)18)10-3-8(17)9(6-16)20-10/h5,8-10,16-17H,3-4,6H2,1-2H3,(H,13,18,19)/t8-,9+,10+/m0/s1
InChIKey
ZBOZILOQLUHHDC-IVZWLZJFSA-N
Compound name
5-[(dimethylamino)methyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.13248 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13976 163.1
[M+Na]+ 308.12170 170.9
[M-H]- 284.12520 166.0
[M+NH4]+ 303.16630 175.3
[M+K]+ 324.09564 169.1
[M+H-H2O]+ 268.12974 155.5
[M+HCOO]- 330.13068 180.7
[M+CH3COO]- 344.14633 198.7
[M+Na-2H]- 306.10715 163.4
[M]+ 285.13193 163.7
[M]- 285.13303 163.7
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.