CID 1272960

474078-36-9

Structural Information

Molecular Formula
C24H18F3N3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C24H18F3N3O2S/c1-15-9-11-18(12-10-15)30-22(32)19-7-2-3-8-20(19)29-23(30)33-14-21(31)28-17-6-4-5-16(13-17)24(25,26)27/h2-13H,14H2,1H3,(H,28,31)
InChIKey
HKUBEZKAHGVFQO-UHFFFAOYSA-N
Compound name
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.10718 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.11446 204.8
[M+Na]+ 492.09640 216.9
[M+NH4]+ 487.14100 209.2
[M+K]+ 508.07034 207.9
[M-H]- 468.09990 206.1
[M+Na-2H]- 490.08185 211.8
[M]+ 469.10663 207.2
[M]- 469.10773 207.2
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.