CID 974146

1043-00-1

Structural Information

Molecular Formula
C18H15ClN2OS
SMILES
CC(=C)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H15ClN2OS/c1-12(2)11-23-18-20-16-6-4-3-5-15(16)17(22)21(18)14-9-7-13(19)8-10-14/h3-10H,1,11H2,2H3
InChIKey
IWCDTAYCRYDIHT-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.05936 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.06664 177.3
[M+Na]+ 365.04858 195.0
[M+NH4]+ 360.09318 186.2
[M+K]+ 381.02252 183.1
[M-H]- 341.05208 182.1
[M+Na-2H]- 363.03403 185.9
[M]+ 342.05881 182.2
[M]- 342.05991 182.2
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.