CID 15955571

Schembl6815762

Structural Information

Molecular Formula
C22H18Cl2FN3O2S
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCCOC3=CC(=CC(=C3)Cl)Cl)F
InChI
InChI=1S/C22H18Cl2FN3O2S/c23-14-11-15(24)13-18(12-14)30-10-9-26-22(31)28-17-7-5-16(6-8-17)27-21(29)19-3-1-2-4-20(19)25/h1-8,11-13H,9-10H2,(H,27,29)(H2,26,28,31)
InChIKey
ZFGYSBPLKDVLKC-UHFFFAOYSA-N
Compound name
N-[4-[2-(3,5-dichlorophenoxy)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

477.0481 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.05538 205.9
[M+Na]+ 500.03732 212.4
[M-H]- 476.04082 213.4
[M+NH4]+ 495.08192 214.7
[M+K]+ 516.01126 203.7
[M+H-H2O]+ 460.04536 197.2
[M+HCOO]- 522.04630 215.2
[M+CH3COO]- 536.06195 237.2
[M+Na-2H]- 498.02277 205.4
[M]+ 477.04755 210.2
[M]- 477.04865 210.2
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

patents stripe