CID 1887239

763114-85-8

Structural Information

Molecular Formula
C24H19ClN2O3S
SMILES
CCOC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H19ClN2O3S/c1-2-30-19-13-7-16(8-14-19)22(28)15-31-24-26-21-6-4-3-5-20(21)23(29)27(24)18-11-9-17(25)10-12-18/h3-14H,2,15H2,1H3
InChIKey
RGVPOZSDSOBUCY-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.0805 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.08778 204.7
[M+Na]+ 473.06972 223.5
[M+NH4]+ 468.11432 212.6
[M+K]+ 489.04366 211.0
[M-H]- 449.07322 211.3
[M+Na-2H]- 471.05517 214.9
[M]+ 450.07995 210.4
[M]- 450.08105 210.4
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.