CID 44144498

Fvudr

Structural Information

Molecular Formula

C₁₁H₁₃FN₂O₆

SMILES

C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)/C=C\F

InChI

InChI=1S/C11H13FN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/b2-1-/t6-,7-,8-,10-/m1/s1

InChIKey

DUMHHKBYUKEXQE-FJHCEMISSA-N

Compound name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(Z)-2-fluoroethenyl]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 288.07578 Da
Monoisotopic Mass: -1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	289.083056	159.9
[M+Na]+	311.064998	169.5
[M-H]-	287.068504	159.2
[M+NH4]+	306.109603	171.0
[M+K]+	327.038938	165.3
[M+H-H2O]+	271.073040	152.4
[M+HCOO]-	333.073981	174.0
[M+CH3COO]-	347.089631	190.2
[M+Na-2H]-	309.050446	159.2
[M]+	288.07523142	157.8
[M]-	288.07632858	157.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.