CID 1544125

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

Structural Information

Molecular Formula
C24H20ClN3O2S
SMILES
CCC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H20ClN3O2S/c1-2-16-7-3-5-9-20(16)26-22(29)15-31-24-27-21-10-6-4-8-19(21)23(30)28(24)18-13-11-17(25)12-14-18/h3-14H,2,15H2,1H3,(H,26,29)
InChIKey
ZUTITJRGMPRTDS-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.09647 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.10375 205.5
[M+Na]+ 472.08569 223.5
[M+NH4]+ 467.13029 213.5
[M+K]+ 488.05963 210.9
[M-H]- 448.08919 212.8
[M+Na-2H]- 470.07114 215.8
[M]+ 449.09592 211.2
[M]- 449.09702 211.2
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.