CID 1992872

618432-28-3

Structural Information

Molecular Formula
C24H19F3N2O2S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C24H19F3N2O2S/c1-2-31-19-12-10-18(11-13-19)29-22(30)20-8-3-4-9-21(20)28-23(29)32-15-16-6-5-7-17(14-16)24(25,26)27/h3-14H,2,15H2,1H3
InChIKey
FFGFQZJDNRXQSV-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.11194 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.11922 205.6
[M+Na]+ 479.10116 219.1
[M+NH4]+ 474.14576 210.7
[M+K]+ 495.07510 208.8
[M-H]- 455.10466 207.0
[M+Na-2H]- 477.08661 212.9
[M]+ 456.11139 208.4
[M]- 456.11249 208.4
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.