CID 2830419

301359-46-6

Structural Information

Molecular Formula

C₁₄H₁₅FN₂O₂S

SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2F)C

InChI

InChI=1S/C14H15FN2O2S/c1-3-19-13(18)11-8(2)16-14(20)17-12(11)9-6-4-5-7-10(9)15/h4-7,12H,3H2,1-2H3,(H2,16,17,20)

InChIKey

FJZALVYDEZBLDT-UHFFFAOYSA-N

Compound name

ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 294.08383 Da
Monoisotopic Mass: 2.1
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]+	295.091106	165.1
[M+Na]+	317.073048	172.8
[M-H]-	293.076554	165.2
[M+NH4]+	312.117653	177.2
[M+K]+	333.046988	166.2
[M+H-H2O]+	277.081090	156.6
[M+HCOO]-	339.082031	174.5
[M+CH3COO]-	353.097681	196.8
[M+Na-2H]-	315.058496	163.0
[M]+	294.08328142	162.2
[M]-	294.08437858	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe