CID 2878894

121112-80-9

Structural Information

Molecular Formula
C15H16F2N2O3S
SMILES
CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2OC(F)F)C
InChI
InChI=1S/C15H16F2N2O3S/c1-3-21-13(20)11-8(2)18-15(23)19-12(11)9-6-4-5-7-10(9)22-14(16)17/h4-7,12,14H,3H2,1-2H3,(H2,18,19,23)
InChIKey
KOUYCXKLICMXNB-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.08496 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09224 178.1
[M+Na]+ 365.07418 186.7
[M+NH4]+ 360.11878 181.9
[M+K]+ 381.04812 180.4
[M-H]- 341.07768 175.7
[M+Na-2H]- 363.05963 179.9
[M]+ 342.08441 178.5
[M]- 342.08551 178.5
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

No patent data available for this compound.