CID 16074168

2(1h)-pyrimidinone, 4-amino-1-[3-c-(trifluoromethyl)-b-d-ribofuranosyl]-

Structural Information

Molecular Formula
C10H12F3N3O5
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@]([C@H](O2)CO)(C(F)(F)F)O)O
InChI
InChI=1S/C10H12F3N3O5/c11-10(12,13)9(20)4(3-17)21-7(6(9)18)16-2-1-5(14)15-8(16)19/h1-2,4,6-7,17-18,20H,3H2,(H2,14,15,19)/t4-,6+,7-,9-/m1/s1
InChIKey
GKHPUPJXBVXNAZ-FPSVSHIKSA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-4-(trifluoromethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.0729 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08018 161.8
[M+Na]+ 334.06212 171.6
[M-H]- 310.06562 159.7
[M+NH4]+ 329.10672 174.1
[M+K]+ 350.03606 168.8
[M+H-H2O]+ 294.07016 153.7
[M+HCOO]- 356.07110 174.0
[M+CH3COO]- 370.08675 197.4
[M+Na-2H]- 332.04757 164.0
[M]+ 311.07235 156.8
[M]- 311.07345 156.8
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.