CID 1555428

2-((2,4-dichlorobenzyl)thio)-3-(p-tolyl)quinazolin-4(3h)-one

Structural Information

Molecular Formula
C22H16Cl2N2OS
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H16Cl2N2OS/c1-14-6-10-17(11-7-14)26-21(27)18-4-2-3-5-20(18)25-22(26)28-13-15-8-9-16(23)12-19(15)24/h2-12H,13H2,1H3
InChIKey
ZRSHSWQIFMQSSZ-UHFFFAOYSA-N
Compound name
2-[(2,4-dichlorophenyl)methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.03604 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.04332 199.5
[M+Na]+ 449.02526 220.7
[M+NH4]+ 444.06986 209.3
[M+K]+ 464.99920 206.2
[M-H]- 425.02876 207.3
[M+Na-2H]- 447.01071 210.6
[M]+ 426.03549 206.4
[M]- 426.03659 206.4
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.