CID 15955660

Schembl6816649

Structural Information

Molecular Formula
C22H19ClFN3OS
SMILES
CC(C1=CC(=CC=C1)Cl)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C22H19ClFN3OS/c1-14(15-5-4-6-16(23)13-15)25-22(29)27-18-11-9-17(10-12-18)26-21(28)19-7-2-3-8-20(19)24/h2-14H,1H3,(H,26,28)(H2,25,27,29)
InChIKey
JDPIWHGWTZUGBW-UHFFFAOYSA-N
Compound name
N-[4-[1-(3-chlorophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

427.09213 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.09941 198.1
[M+Na]+ 450.08135 203.3
[M-H]- 426.08485 205.9
[M+NH4]+ 445.12595 208.0
[M+K]+ 466.05529 195.2
[M+H-H2O]+ 410.08939 188.6
[M+HCOO]- 472.09033 211.0
[M+CH3COO]- 486.10598 231.1
[M+Na-2H]- 448.06680 197.6
[M]+ 427.09158 198.4
[M]- 427.09268 198.4
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