CID 479265

4-amino-3,5-difluoro-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyridin-2-one

Structural Information

Molecular Formula
C9H10F2N2O3S
SMILES
C1[C@H](O[C@H](S1)CO)N2C=C(C(=C(C2=O)F)N)F
InChI
InChI=1S/C9H10F2N2O3S/c10-4-1-13(9(15)7(11)8(4)12)5-3-17-6(2-14)16-5/h1,5-6,14H,2-3,12H2/t5-,6+/m0/s1
InChIKey
HURSZUBSVDWSEJ-NTSWFWBYSA-N
Compound name
4-amino-3,5-difluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.03802 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04530 151.5
[M+Na]+ 287.02724 161.8
[M-H]- 263.03074 154.3
[M+NH4]+ 282.07184 167.3
[M+K]+ 303.00118 158.2
[M+H-H2O]+ 247.03528 143.8
[M+HCOO]- 309.03622 165.7
[M+CH3COO]- 323.05187 192.7
[M+Na-2H]- 285.01269 150.1
[M]+ 264.03747 150.1
[M]- 264.03857 150.1
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.