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 175.5
[M+Na]+ 365.04858 186.6
[M-H]- 341.05208 180.8
[M+NH4]+ 360.09318 189.1
[M+K]+ 381.02252 178.4
[M+H-H2O]+ 325.05662 167.3
[M+HCOO]- 387.05756 185.6
[M+CH3COO]- 401.07321 186.4
[M+Na-2H]- 363.03403 177.6
[M]+ 342.05881 181.0
[M]- 342.05991 181.0
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.