CID 1287316

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

Structural Information

Molecular Formula
C24H20ClN3O3S
SMILES
CCOC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H20ClN3O3S/c1-2-31-21-10-6-5-9-20(21)26-22(29)15-32-24-27-19-8-4-3-7-18(19)23(30)28(24)17-13-11-16(25)12-14-17/h3-14H,2,15H2,1H3,(H,26,29)
InChIKey
WYAHOEIKLMWVDR-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.0914 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.09868 208.4
[M+Na]+ 488.08062 225.9
[M+NH4]+ 483.12522 215.8
[M+K]+ 504.05456 213.9
[M-H]- 464.08412 215.2
[M+Na-2H]- 486.06607 218.4
[M]+ 465.09085 213.8
[M]- 465.09195 213.8
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.