CID 15955678

Schembl6815479

Structural Information

Molecular Formula
C22H19ClFN3O2S
SMILES
CCOC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl
InChI
InChI=1S/C22H19ClFN3O2S/c1-2-29-20-12-11-16(13-18(20)23)27-22(30)26-15-9-7-14(8-10-15)25-21(28)17-5-3-4-6-19(17)24/h3-13H,2H2,1H3,(H,25,28)(H2,26,27,30)
InChIKey
USNDJNMURQBEEU-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-4-ethoxyphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

443.08707 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.09435 201.8
[M+Na]+ 466.07629 207.9
[M-H]- 442.07979 209.9
[M+NH4]+ 461.12089 211.3
[M+K]+ 482.05023 200.0
[M+H-H2O]+ 426.08433 192.0
[M+HCOO]- 488.08527 215.8
[M+CH3COO]- 502.10092 233.7
[M+Na-2H]- 464.06174 201.7
[M]+ 443.08652 204.3
[M]- 443.08762 204.3
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