CID 475310

1,3-bis(2,3-epoxypropyl)-5-fluorouracil

Structural Information

Molecular Formula
C10H11FN2O4
SMILES
C1C(O1)CN2C=C(C(=O)N(C2=O)CC3CO3)F
InChI
InChI=1S/C10H11FN2O4/c11-8-3-12(1-6-4-16-6)10(15)13(9(8)14)2-7-5-17-7/h3,6-7H,1-2,4-5H2
InChIKey
ASMUVUSXTXEDAY-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-bis(oxiran-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

242.07028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07756 169.6
[M+Na]+ 265.05950 180.7
[M-H]- 241.06300 177.5
[M+NH4]+ 260.10410 172.0
[M+K]+ 281.03344 178.7
[M+H-H2O]+ 225.06754 160.3
[M+HCOO]- 287.06848 186.5
[M+CH3COO]- 301.08413 202.3
[M+Na-2H]- 263.04495 172.0
[M]+ 242.06973 176.8
[M]- 242.07083 176.8
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

patents stripe