CID 1158654

2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-n-(4-fluorophenyl)acetamide

Structural Information

Molecular Formula
C22H15ClFN3O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H15ClFN3O2S/c23-14-5-11-17(12-6-14)27-21(29)18-3-1-2-4-19(18)26-22(27)30-13-20(28)25-16-9-7-15(24)8-10-16/h1-12H,13H2,(H,25,28)
InChIKey
BZNCCGSLTMEFKC-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.05576 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.06304 198.5
[M+Na]+ 462.04498 215.6
[M+NH4]+ 457.08958 205.9
[M+K]+ 478.01892 203.8
[M-H]- 438.04848 204.1
[M+Na-2H]- 460.03043 208.5
[M]+ 439.05521 203.4
[M]- 439.05631 203.4
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.