CID 489902

5-fluoro-1-[[1-(2-hydroxyethoxymethyl)triazol-4-yl]methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H12FN5O4
SMILES
C1=C(N=NN1COCCO)CN2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C10H12FN5O4/c11-8-5-15(10(19)12-9(8)18)3-7-4-16(14-13-7)6-20-2-1-17/h4-5,17H,1-3,6H2,(H,12,18,19)
InChIKey
QAXZABSNIBQFPC-UHFFFAOYSA-N
Compound name
5-fluoro-1-[[1-(2-hydroxyethoxymethyl)triazol-4-yl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.08734 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09462 159.9
[M+Na]+ 308.07656 170.9
[M-H]- 284.08006 157.3
[M+NH4]+ 303.12116 169.4
[M+K]+ 324.05050 165.9
[M+H-H2O]+ 268.08460 149.4
[M+HCOO]- 330.08554 176.5
[M+CH3COO]- 344.10119 193.6
[M+Na-2H]- 306.06201 162.7
[M]+ 285.08679 161.7
[M]- 285.08789 161.7
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.