CID 948853

497246-02-3

Structural Information

Molecular Formula
C18H16N2OS
SMILES
CC(=C)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C18H16N2OS/c1-13(2)12-22-18-19-16-11-7-6-10-15(16)17(21)20(18)14-8-4-3-5-9-14/h3-11H,1,12H2,2H3
InChIKey
LFNDSAZDPHWTCV-UHFFFAOYSA-N
Compound name
2-(2-methylprop-2-enylsulfanyl)-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.09833 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10561 170.0
[M+Na]+ 331.08755 186.5
[M+NH4]+ 326.13215 178.7
[M+K]+ 347.06149 175.4
[M-H]- 307.09105 174.7
[M+Na-2H]- 329.07300 178.9
[M]+ 308.09778 174.4
[M]- 308.09888 174.4
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.