CID 1979985

477333-05-4

Structural Information

Molecular Formula
C22H17ClN2OS
SMILES
CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H17ClN2OS/c1-15-6-2-3-7-16(15)14-27-22-24-20-9-5-4-8-19(20)21(26)25(22)18-12-10-17(23)11-13-18/h2-13H,14H2,1H3
InChIKey
KHRLIRGWWBCFOR-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.075 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.08228 191.4
[M+Na]+ 415.06422 212.0
[M+NH4]+ 410.10882 201.3
[M+K]+ 431.03816 198.1
[M-H]- 391.06772 199.4
[M+Na-2H]- 413.04967 203.2
[M]+ 392.07445 197.9
[M]- 392.07555 197.9
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.