CID 464741

3-[2-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)ethyl]-2-(phenoxymethyl)thiazolidin-4-one

Structural Information

Molecular Formula
C16H17FN4O3S
SMILES
C1C(=O)N(C(S1)COC2=CC=CC=C2)CCN3C=C(C(=NC3=O)N)F
InChI
InChI=1S/C16H17FN4O3S/c17-12-8-20(16(23)19-15(12)18)6-7-21-13(22)10-25-14(21)9-24-11-4-2-1-3-5-11/h1-5,8,14H,6-7,9-10H2,(H2,18,19,23)
InChIKey
HXUMLMTYGBYXRF-UHFFFAOYSA-N
Compound name
3-[2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)ethyl]-2-(phenoxymethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.10052 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10780 181.7
[M+Na]+ 387.08974 190.9
[M-H]- 363.09324 186.5
[M+NH4]+ 382.13434 192.1
[M+K]+ 403.06368 184.7
[M+H-H2O]+ 347.09778 171.3
[M+HCOO]- 409.09872 196.2
[M+CH3COO]- 423.11437 213.9
[M+Na-2H]- 385.07519 179.4
[M]+ 364.09997 182.9
[M]- 364.10107 182.9
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.