CID 1158649

421578-24-7

Structural Information

Molecular Formula
C23H17ClN2O3S
SMILES
COC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H17ClN2O3S/c1-29-18-12-6-15(7-13-18)21(27)14-30-23-25-20-5-3-2-4-19(20)22(28)26(23)17-10-8-16(24)9-11-17/h2-13H,14H2,1H3
InChIKey
CGGDLWVOLVYHCD-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.06485 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.07213 200.3
[M+Na]+ 459.05407 219.3
[M+NH4]+ 454.09867 208.4
[M+K]+ 475.02801 207.1
[M-H]- 435.05757 207.0
[M+Na-2H]- 457.03952 210.8
[M]+ 436.06430 206.0
[M]- 436.06540 206.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.