CID 63149

61554-69-6

Structural Information

Molecular Formula
C19H20N2OS
SMILES
CCCSCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C
InChI
InChI=1S/C19H20N2OS/c1-3-12-23-13-18-20-16-10-6-5-9-15(16)19(22)21(18)17-11-7-4-8-14(17)2/h4-11H,3,12-13H2,1-2H3
InChIKey
HCMBQCAGPCKIDU-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-2-(propylsulfanylmethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.12964 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13692 175.8
[M+Na]+ 347.11886 185.9
[M-H]- 323.12236 181.0
[M+NH4]+ 342.16346 189.4
[M+K]+ 363.09280 178.8
[M+H-H2O]+ 307.12690 166.5
[M+HCOO]- 369.12784 191.0
[M+CH3COO]- 383.14349 186.7
[M+Na-2H]- 345.10431 178.7
[M]+ 324.12909 180.7
[M]- 324.13019 180.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.