CID 1828903

477331-65-0

Structural Information

Molecular Formula
C23H14Cl2F3N3O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H14Cl2F3N3O2S/c24-14-6-8-15(9-7-14)31-21(33)16-3-1-2-4-18(16)30-22(31)34-12-20(32)29-19-11-13(23(26,27)28)5-10-17(19)25/h1-11H,12H2,(H,29,32)
InChIKey
AXMDFGYENHBGJJ-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.0136 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.02088 209.6
[M+Na]+ 546.00282 223.0
[M+NH4]+ 541.04742 214.3
[M+K]+ 561.97676 213.2
[M-H]- 522.00632 210.8
[M+Na-2H]- 543.98827 216.5
[M]+ 523.01305 212.7
[M]- 523.01415 212.7
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.