CID 471748

4-amino-5-fluoro-1-[(1r,4s)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C10H12FN3O2
SMILES
C1[C@@H](C=C[C@@H]1N2C=C(C(=NC2=O)N)F)CO
InChI
InChI=1S/C10H12FN3O2/c11-8-4-14(10(16)13-9(8)12)7-2-1-6(3-7)5-15/h1-2,4,6-7,15H,3,5H2,(H2,12,13,16)/t6-,7+/m1/s1
InChIKey
ODUCRGPWRGRXOF-RQJHMYQMSA-N
Compound name
4-amino-5-fluoro-1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.09135 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09863 146.2
[M+Na]+ 248.08057 156.0
[M-H]- 224.08407 148.2
[M+NH4]+ 243.12517 162.8
[M+K]+ 264.05451 151.9
[M+H-H2O]+ 208.08861 137.7
[M+HCOO]- 270.08955 167.1
[M+CH3COO]- 284.10520 188.1
[M+Na-2H]- 246.06602 148.3
[M]+ 225.09080 143.4
[M]- 225.09190 143.4
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.