CID 15955581

Schembl6814700

Structural Information

Molecular Formula
C22H18Cl2FN3OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCCC3=CC(=C(C=C3)Cl)Cl)F
InChI
InChI=1S/C22H18Cl2FN3OS/c23-18-10-5-14(13-19(18)24)11-12-26-22(30)28-16-8-6-15(7-9-16)27-21(29)17-3-1-2-4-20(17)25/h1-10,13H,11-12H2,(H,27,29)(H2,26,28,30)
InChIKey
LVYNYELTCAJRLQ-UHFFFAOYSA-N
Compound name
N-[4-[2-(3,4-dichlorophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

461.05316 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.06044 203.5
[M+Na]+ 484.04238 210.3
[M-H]- 460.04588 210.9
[M+NH4]+ 479.08698 213.1
[M+K]+ 500.01632 200.8
[M+H-H2O]+ 444.05042 194.9
[M+HCOO]- 506.05136 212.5
[M+CH3COO]- 520.06701 235.1
[M+Na-2H]- 482.02783 202.7
[M]+ 461.05261 206.4
[M]- 461.05371 206.4
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

patents stripe