CID 6481841

1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C15H24N4O5
SMILES
CN1CCN(CC1)CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C15H24N4O5/c1-17-2-4-18(5-3-17)7-10-8-19(15(23)16-14(10)22)13-6-11(21)12(9-20)24-13/h8,11-13,20-21H,2-7,9H2,1H3,(H,16,22,23)/t11-,12+,13+/m0/s1
InChIKey
UMGYNIRTVAZTLI-YNEHKIRRSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.17468 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18196 182.1
[M+Na]+ 363.16390 188.4
[M-H]- 339.16740 183.3
[M+NH4]+ 358.20850 188.4
[M+K]+ 379.13784 184.2
[M+H-H2O]+ 323.17194 172.3
[M+HCOO]- 385.17288 191.3
[M+CH3COO]- 399.18853 204.0
[M+Na-2H]- 361.14935 178.9
[M]+ 340.17413 177.9
[M]- 340.17523 177.9
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.