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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09111 165.1
[M+Na]+ 317.07305 172.8
[M-H]- 293.07655 165.2
[M+NH4]+ 312.11765 177.2
[M+K]+ 333.04699 166.2
[M+H-H2O]+ 277.08109 156.6
[M+HCOO]- 339.08203 174.5
[M+CH3COO]- 353.09768 196.8
[M+Na-2H]- 315.05850 163.0
[M]+ 294.08328 162.2
[M]- 294.08438 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe