CID 1888754

760203-10-9

Structural Information

Molecular Formula
C23H19ClN2OS
SMILES
CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H19ClN2OS/c1-15-7-8-16(2)17(13-15)14-28-23-25-21-6-4-3-5-20(21)22(27)26(23)19-11-9-18(24)10-12-19/h3-13H,14H2,1-2H3
InChIKey
YCYZMRCMPJUIQJ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.09067 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09795 195.8
[M+Na]+ 429.07989 207.7
[M-H]- 405.08339 204.2
[M+NH4]+ 424.12449 206.7
[M+K]+ 445.05383 198.2
[M+H-H2O]+ 389.08793 185.6
[M+HCOO]- 451.08887 206.1
[M+CH3COO]- 465.10452 205.8
[M+Na-2H]- 427.06534 197.1
[M]+ 406.09012 202.3
[M]- 406.09122 202.3
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.