CID 481757

Chembl2170279

Structural Information

Molecular Formula
C16H13FN2O2S
SMILES
C1CC2=C(C(N3C(=O)CSC3=N2)C4=CC=C(C=C4)F)C(=O)C1
InChI
InChI=1S/C16H13FN2O2S/c17-10-6-4-9(5-7-10)15-14-11(2-1-3-12(14)20)18-16-19(15)13(21)8-22-16/h4-7,15H,1-3,8H2
InChIKey
SXFKTKRRZVFQEQ-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

316.06818 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07546 169.8
[M+Na]+ 339.05740 179.6
[M-H]- 315.06090 174.4
[M+NH4]+ 334.10200 186.2
[M+K]+ 355.03134 173.5
[M+H-H2O]+ 299.06544 161.4
[M+HCOO]- 361.06638 180.4
[M+CH3COO]- 375.08203 180.4
[M+Na-2H]- 337.04285 169.5
[M]+ 316.06763 168.4
[M]- 316.06873 168.4
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.