CID 3008096

5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydrothiazolo[2,3-b]quinazolin-6-one

Structural Information

Molecular Formula
C22H17FN2OS
SMILES
C1CC2=C(C(N3C(=CSC3=N2)C4=CC=CC=C4)C5=CC=C(C=C5)F)C(=O)C1
InChI
InChI=1S/C22H17FN2OS/c23-16-11-9-15(10-12-16)21-20-17(7-4-8-19(20)26)24-22-25(21)18(13-27-22)14-5-2-1-3-6-14/h1-3,5-6,9-13,21H,4,7-8H2
InChIKey
DRHKHYMXNJHSQP-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.10455 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.11183 187.6
[M+Na]+ 399.09377 197.1
[M-H]- 375.09727 195.1
[M+NH4]+ 394.13837 201.2
[M+K]+ 415.06771 188.9
[M+H-H2O]+ 359.10181 177.3
[M+HCOO]- 421.10275 198.6
[M+CH3COO]- 435.11840 197.1
[M+Na-2H]- 397.07922 187.1
[M]+ 376.10400 186.2
[M]- 376.10510 186.2
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

No patent data available for this compound.