CID 15955572

N-[2-[2-(3-chlorophenoxy)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide

Structural Information

Molecular Formula
C22H19ClFN3O2S
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2NC(=S)NCCOC3=CC(=CC=C3)Cl)F
InChI
InChI=1S/C22H19ClFN3O2S/c23-15-6-5-7-16(14-15)29-13-12-25-22(30)27-20-11-4-3-10-19(20)26-21(28)17-8-1-2-9-18(17)24/h1-11,14H,12-13H2,(H,26,28)(H2,25,27,30)
InChIKey
VINTXCNUTBTREH-UHFFFAOYSA-N
Compound name
N-[2-[2-(3-chlorophenoxy)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.08707 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.09435 200.8
[M+Na]+ 466.07629 206.2
[M-H]- 442.07979 208.5
[M+NH4]+ 461.12089 210.0
[M+K]+ 482.05023 198.1
[M+H-H2O]+ 426.08433 190.9
[M+HCOO]- 488.08527 214.9
[M+CH3COO]- 502.10092 232.4
[M+Na-2H]- 464.06174 201.6
[M]+ 443.08652 203.0
[M]- 443.08762 203.0
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.