CID 1882576

Cambridge id 5727951

Structural Information

Molecular Formula
C17H16N2OS
SMILES
CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C17H16N2OS/c1-2-12-21-17-18-15-11-7-6-10-14(15)16(20)19(17)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKey
MJRNFSDAUIOIPZ-UHFFFAOYSA-N
Compound name
3-phenyl-2-propylsulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

296.09833 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10561 166.7
[M+Na]+ 319.08755 176.9
[M-H]- 295.09105 171.9
[M+NH4]+ 314.13215 181.2
[M+K]+ 335.06149 170.2
[M+H-H2O]+ 279.09559 157.7
[M+HCOO]- 341.09653 182.6
[M+CH3COO]- 355.11218 178.2
[M+Na-2H]- 317.07300 171.4
[M]+ 296.09778 170.6
[M]- 296.09888 170.6
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.