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]+ 450.10375 205.0
[M+Na]+ 472.08569 214.2
[M-H]- 448.08919 212.8
[M+NH4]+ 467.13029 213.2
[M+K]+ 488.05963 205.2
[M+H-H2O]+ 432.09373 194.4
[M+HCOO]- 494.09467 215.4
[M+CH3COO]- 508.11032 213.4
[M+Na-2H]- 470.07114 206.9
[M]+ 449.09592 210.9
[M]- 449.09702 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.