CID 454481

2',3'-dideoxy-3'-fluoro-5-(4-methylpiperazinomethyl)uridine

Structural Information

Molecular Formula
C15H23FN4O4
SMILES
CN1CCN(CC1)CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)F
InChI
InChI=1S/C15H23FN4O4/c1-18-2-4-19(5-3-18)7-10-8-20(15(23)17-14(10)22)13-6-11(16)12(9-21)24-13/h8,11-13,21H,2-7,9H2,1H3,(H,17,22,23)/t11-,12+,13+/m0/s1
InChIKey
DIWFZUNYXGAYFD-YNEHKIRRSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-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

0
References

0
Patents

342.17032 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17760 182.1
[M+Na]+ 365.15954 189.2
[M-H]- 341.16304 183.2
[M+NH4]+ 360.20414 189.1
[M+K]+ 381.13348 184.5
[M+H-H2O]+ 325.16758 171.2
[M+HCOO]- 387.16852 191.6
[M+CH3COO]- 401.18417 206.3
[M+Na-2H]- 363.14499 178.5
[M]+ 342.16977 177.2
[M]- 342.17087 177.2
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.