CID 510995

3-[(2s,5s,4r)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-amino-5-(trifluoromethyl)-3-hydropyrimidin-2-one

Structural Information

Molecular Formula
C10H11F4N3O3
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=C(C(=NC2=O)N)C(F)(F)F)CO)F
InChI
InChI=1S/C10H11F4N3O3/c11-5-1-7(20-6(5)3-18)17-2-4(10(12,13)14)8(15)16-9(17)19/h2,5-7,18H,1,3H2,(H2,15,16,19)/t5-,6+,7+/m1/s1
InChIKey
LMZRAVJLKVWBHG-VQVTYTSYSA-N
Compound name
4-amino-1-[(2S,4R,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.07364 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08092 160.6
[M+Na]+ 320.06286 170.8
[M-H]- 296.06636 159.4
[M+NH4]+ 315.10746 173.0
[M+K]+ 336.03680 167.4
[M+H-H2O]+ 280.07090 150.2
[M+HCOO]- 342.07184 174.3
[M+CH3COO]- 356.08749 200.3
[M+Na-2H]- 318.04831 160.9
[M]+ 297.07309 154.7
[M]- 297.07419 154.7
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.