CID 5272237

N-[2-ethyl-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide

Structural Information

Molecular Formula
C24H23F2N3OS
SMILES
CCC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC=C(C=C2)F)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C24H23F2N3OS/c1-3-16-14-19(28-24(31)27-15(2)17-8-10-18(25)11-9-17)12-13-22(16)29-23(30)20-6-4-5-7-21(20)26/h4-15H,3H2,1-2H3,(H,29,30)(H2,27,28,31)
InChIKey
URLYPMOAKPQEML-UHFFFAOYSA-N
Compound name
N-[2-ethyl-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.15298 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.16026 204.0
[M+Na]+ 462.14220 208.4
[M-H]- 438.14570 210.3
[M+NH4]+ 457.18680 212.5
[M+K]+ 478.11614 200.9
[M+H-H2O]+ 422.15024 192.1
[M+HCOO]- 484.15118 219.3
[M+CH3COO]- 498.16683 237.4
[M+Na-2H]- 460.12765 201.4
[M]+ 439.15243 201.6
[M]- 439.15353 201.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.