CID 24208940

853313-94-7

Structural Information

Molecular Formula

C₁₂H₁₂FN₃O₃

SMILES

CC1=C(C(NC(=O)N1)C2=C(C=NC=C2)F)C(=O)OC

InChI

InChI=1S/C12H12FN3O3/c1-6-9(11(17)19-2)10(16-12(18)15-6)7-3-4-14-5-8(7)13/h3-5,10H,1-2H3,(H2,15,16,18)

InChIKey

FWWWFLPRRWNLSU-UHFFFAOYSA-N

Compound name

methyl 4-(3-fluoro-4-pyridinyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.08627 Da
Monoisotopic Mass: 0.0
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]+	266.093546	159.4
[M+Na]+	288.075488	167.9
[M-H]-	264.078994	158.5
[M+NH4]+	283.120093	170.6
[M+K]+	304.049428	163.0
[M+H-H2O]+	248.083530	149.8
[M+HCOO]-	310.084471	173.4
[M+CH3COO]-	324.100121	192.3
[M+Na-2H]-	286.060936	160.9
[M]+	265.08572142	155.4
[M]-	265.08681858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.