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 208.9
[M+Na]+ 479.10116 219.0
[M-H]- 455.10466 213.0
[M+NH4]+ 474.14576 216.3
[M+K]+ 495.07510 210.1
[M+H-H2O]+ 439.10920 195.0
[M+HCOO]- 501.11014 218.8
[M+CH3COO]- 515.12579 216.5
[M+Na-2H]- 477.08661 210.1
[M]+ 456.11139 210.8
[M]- 456.11249 210.8
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.