CID 1614271

22312-41-0

Structural Information

Molecular Formula
C23H20N2OS
SMILES
CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C
InChI
InChI=1S/C23H20N2OS/c1-16-7-11-18(12-8-16)15-27-23-24-21-6-4-3-5-20(21)22(26)25(23)19-13-9-17(2)10-14-19/h3-14H,15H2,1-2H3
InChIKey
ZGRZAKRILHCXJJ-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-2-[(4-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 189.9
[M+Na]+ 395.11886 200.4
[M-H]- 371.12236 198.2
[M+NH4]+ 390.16346 201.0
[M+K]+ 411.09280 191.9
[M+H-H2O]+ 355.12690 179.1
[M+HCOO]- 417.12784 204.9
[M+CH3COO]- 431.14349 200.0
[M+Na-2H]- 393.10431 192.4
[M]+ 372.12909 193.7
[M]- 372.13019 193.7
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.