CID 4123591

93501-51-0

Structural Information

Molecular Formula
C14H10F3N3O2S
SMILES
C1CSC2=NC=C(C(=O)N21)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C14H10F3N3O2S/c15-14(16,17)8-2-1-3-9(6-8)19-11(21)10-7-18-13-20(12(10)22)4-5-23-13/h1-3,6-7H,4-5H2,(H,19,21)
InChIKey
CPMZWDDDPRCVHU-UHFFFAOYSA-N
Compound name
5-oxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

341.0446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.05188 171.5
[M+Na]+ 364.03382 181.4
[M-H]- 340.03732 173.3
[M+NH4]+ 359.07842 185.5
[M+K]+ 380.00776 175.7
[M+H-H2O]+ 324.04186 161.5
[M+HCOO]- 386.04280 183.6
[M+CH3COO]- 400.05845 207.8
[M+Na-2H]- 362.01927 173.1
[M]+ 341.04405 170.0
[M]- 341.04515 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.