CID 1544125

476484-71-6

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]+ 450.103746 205.0
[M+Na]+ 472.085688 214.2
[M-H]- 448.089194 212.8
[M+NH4]+ 467.130293 213.2
[M+K]+ 488.059628 205.2
[M+H-H2O]+ 432.093730 194.4
[M+HCOO]- 494.094671 215.4
[M+CH3COO]- 508.110321 213.4
[M+Na-2H]- 470.071136 206.9
[M]+ 449.09592142 210.9
[M]- 449.09701858 210.9
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.