CID 1885947

476486-18-7

Structural Information

Molecular Formula
C23H20N2OS
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC(=C4)C
InChI
InChI=1S/C23H20N2OS/c1-16-10-12-19(13-11-16)25-22(26)20-8-3-4-9-21(20)24-23(25)27-15-18-7-5-6-17(2)14-18/h3-14H,15H2,1-2H3
InChIKey
MBIFZLHSAMIVQG-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.12964 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13692 188.5
[M+Na]+ 395.11886 208.1
[M+NH4]+ 390.16346 197.9
[M+K]+ 411.09280 194.9
[M-H]- 371.12236 196.5
[M+Na-2H]- 393.10431 200.1
[M]+ 372.12909 194.5
[M]- 372.13019 194.5
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.